SMIRKS
[H]N([H])[C@@:6]([H])([C:5]([C:2]([C:1]([H:33])([H:34])[H:35])([C:3]([H:21])([H:22])[H:23])[C:4]([H:24])([H:25])[H:26])([H:31])[H:32])[C:8](=[O:9])[O:10][H:29].[H]OC(=O)C(C([H])([H])C([H])([H])C(=O)O[H])=[O:17]>>[C:1]([C:2]([C:3]([H:21])([H:22])[H:23])([C:4]([H:24])([H:25])[H:26])[C:5]([C:6]([C:8](=[O:9])[O:10][H:29])=[O:17])([H:31])[H:32])([H:33])([H:34])[H:35]
Derived Operators
EVODEX.1-F279 - Elemental Balance
| O | -4 |
| C | -5 |
| N | -1 |
| H | -9 |
EVODEX.1-M36 - Mass Difference
-147.05317
EVODEX.1-C84 - Reaction Operator C
[H]-[#7](-[H])-[#6:13]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:23]>>[#6:13]=[#8:23]
EVODEX.1-N90 - Reaction Operator N
[H]-[#7](-[H])-[#6@:2](-[H])(-[#6:1])-[#6:4].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:16]>>[#6:1]-[#6:2](-[#6:4])=[#8:16]
EVODEX.1-Em14 - Reaction Operator Em
[#6](=[#8])-[#6](-[#6])=[#8:6].[H]-[#7](-[H])-[#6:11](-[H])(-[#6:12])-[#6:21]=[#8:22]>>[#8:6]=[#6:11](-[#6:12])-[#6:21]=[#8:22]
EVODEX.1-Nm12 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:39](-[H])(-[#6:5])-[#6:37].[#6]-[#6](-[#6])=[#8:47]>>[#6:5]-[#6:39](-[#6:37])=[#8:47]
Source Full Reactions
EVODEX.1-R3743
[H][C@@:6]([C:5]([C:2]([C:1]([H:33])([H:34])[H:35])([C:3]([H:21])([H:22])[H:23])[C:4]([H:24])([H:25])[H:26])([H:31])[H:32])([N:7]([H:27])[H:28])[C:8](=[O:9])[O:10][H:29].[O:11]=[C:12]([O:13][H:36])[C:14]([C:15]([C:16](=[O:17])[C:18](=[O:19])[O:20][H:37])([H:38])[H:39])([H:40])[H:41]>>[C:1]([C:2]([C:3]([H:21])([H:22])[H:23])([C:4]([H:24])([H:25])[H:26])[C:5]([C:6]([C:8](=[O:9])[O:10][H:29])=[O:17])([H:31])[H:32])([H:33])([H:34])[H:35].[H][C@:16]([N:7]([H:27])[H:28])([C:15]([C:14]([C:12](=[O:11])[O:13][H:36])([H:40])[H:41])([H:38])[H:39])[C:18](=[O:19])[O:20][H:37]