| Reactant |
0.0 {0.0} |
0.0 {0.0} |
0.0 |
0.0 |
0.0 |
0.0 |
0.0 |
0.0 |
0.0 |
6248,6741,6649,
6651,6740,6655,
6736,6645,6650 |
| TS: Acetone extrusion |
39.0 |
- |
6257 |
| TS: 2+4 Cycloaddition |
45.1 |
- |
6247 |
| TS1 |
15.3 {18.5} |
19.7{21.3} |
17.9 |
16.7 |
20.6 |
16.8 |
17.9 |
16.9 |
16.7 |
6284,6727,6693,
6694,6667,6680,
6670,6708,6709
|
| TI1 |
10.0 |
12.0 |
- |
6263,6286 |
| TS2 |
21.8 {26.8} |
26.5{29.9} |
22.0 |
20.6 |
24.8 |
22.6 |
23.7 |
22.3 |
19.2 |
6259,6735,6730,
6739,6748,6726,
6728,6742,6729 |
| TI2 |
11.6 |
10.9 |
- |
6290,6308 |
| TS3 |
21.4 {23.1} |
27.3 {26.9| |
22.6 |
23.1 |
24.4 |
24.2 |
23.6 |
24.5 |
19.3 |
6261,6751,6746,
6745,6744,6749,
6743,6747,6755
|
| Product |
-11.3 {-17.6}? |
-8.9 {-15.6} |
-11.4 |
-11.8 |
-10.2 |
-11.6 |
-12.6 |
-14.1 |
-15.6 |
6758,6285,6761,
6760,6779,6759,
6762,6791,6776
|