SMIRKS
[H][C@:10]([N:9]([H:42])[H:43])([C:11]([C:12]1:[C:13]([H:32]):[N:14]([H:33]):[C:15]2:[C:16]([H:34]):[C:17]([H:35]):[C:18]([H:36]):[C:19]([H:37]):[C:20]:1:2)([H:38])[H:39])[C:21](=[O:22])[O:23][H:40]>>[H]OC(=O)[C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])[N:9]([H:42])[H:43].O=[C:10]([C:11]([C:12]1:[C:13]([H:32]):[N:14]([H:33]):[C:15]2:[C:16]([H:34]):[C:17]([H:35]):[C:18]([H:36]):[C:19]([H:37]):[C:20]:1:2)([H:38])[H:39])[C:21](=[O:22])[O:23][H:40]
Derived Operators
EVODEX.1-F103 - Elemental Balance
| C | 5 |
| O | 3 |
| H | 8 |
EVODEX.1-M233 - Mass Difference
116.04734
EVODEX.1-E688 - Reaction Operator E
[#6:13]-[#6@:14](-[#7:15](-[H:27])-[H:28])(-[#6:16]=[#8:17])-[H]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6@@](-[#6](=[#8])-[#8]-[H])(-[#7:15](-[H:27])-[H:28])-[H])-[H])(-[H])(-[H])-[H].[#8]=[#6:14](-[#6:13])-[#6:16]=[#8:17]
EVODEX.1-C456 - Reaction Operator C
[H]-[#6@@:14]-[#7:15]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#7:15].[#8]=[#6:14]
EVODEX.1-N553 - Reaction Operator N
[H]-[#6@@:14](-[#6:13])(-[#7:15](-[H:27])-[H:28])-[#6:16]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#7:15](-[H:27])-[H:28].[#8]=[#6:14](-[#6:13])-[#6:16]
EVODEX.1-Em17 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14]=[#8:15]>>[#8]=[#6:2](-[#6:3])-[#6:14]=[#8:15].[#6]-[#6](-[H])(-[#6])-[#7:1]
EVODEX.1-Nm13 - Reaction Operator Nm
[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]
Source Full Reactions
EVODEX.1-R3643
[C:1]([C:2]([C:3]([H:24])([H:25])[H:26])([C:4](=[O:5])[C:6](=[O:7])[O:8][H:27])[H:28])([H:29])([H:30])[H:31].[H][C@:10]([N:9]([H:42])[H:43])([C:11]([C:12]1:[C:13]([H:32]):[N:14]([H:33]):[C:15]2:[C:16]([H:34]):[C:17]([H:35]):[C:18]([H:36]):[C:19]([H:37]):[C:20]:1:2)([H:38])[H:39])[C:21](=[O:22])[O:23][H:40]>>[H][C@:4]([C:2]([C:1]([H:29])([H:30])[H:31])([C:3]([H:24])([H:25])[H:26])[H:28])([C:6](=[O:7])[O:8][H:27])[N:9]([H:42])[H:43].[O:5]=[C:10]([C:11]([C:12]1:[C:13]([H:32]):[N:14]([H:33]):[C:15]2:[C:16]([H:34]):[C:17]([H:35]):[C:18]([H:36]):[C:19]([H:37]):[C:20]:1:2)([H:38])[H:39])[C:21](=[O:22])[O:23][H:40]