| Reactant |
0.0 {0.0} |
0.0 {0.0} |
0.0 |
0.0 |
0.0 |
0.0 |
0.0 |
0.0 |
0.0 |
6248,6271,6509,
6467,6525,6567,
6553.????,6585 |
| TS: Acetone extrusion |
39.0 |
- |
6257 |
| TS: 2+4 Cycloaddition |
45.1 |
- |
6247 |
| TS1 |
15.3 {18.5} |
17.5 {21.3} |
14.0 |
16.9 |
15.1 |
17.5 |
15.3 |
24.1 |
14.7 |
6284,6272,6452,
6541,6530,6570,
6589,6596,6614 |
| TI1 |
10.0 |
12.0 |
- |
6263,6286 |
| TS2 |
21.8 {26.8} |
23.5 {29.9} |
18.5 |
19.9 |
19.8 |
22.0 |
19.5 |
28.5 |
18.7 |
6259,6283,6460,
6524,6564,6566,
6565,6597,6595 |
| TI2 |
11.6 |
10.9 |
- |
6290,6308 |
| TS3 |
21.4 {23.1} |
24.9 {26.9| |
19.5 |
23.4 |
21.0 |
23.4 |
20.2 |
27.7 |
19.0 |
6261,6276,6450,
6523,6543,6573,
6544,6589,6586 |
| Product |
-11.3 {-17.6}? |
-11.2 {-15.6} |
-14.2 |
-12.0 |
-13.9 |
-12.4 |
-14.6 |
- |
-15.8 |
6262,6285,6433,
6612,6551,6617,
6574,????,6613 |