SMIRKS
[H][C:10]([C:9]([C:8]([C:7]([N+:4]([C:2]([C:1]([H:50])([H:51])[H:52])([C:3]([H:28])([H:29])[H:30])[H:49])([C:5]([H:31])([H:32])[H:33])[C:6]([H:34])([H:35])[H:36])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([C@:11]([N:12]([H:37])[H:38])([C:13](=[O:14])[O:15][H:39])[H:40])[H:41].[O:26]=[O:27]>>[H][O:26][C@@:10]([C:9]([C:8]([C:7]([N+:4]([C:2]([C:1]([H:50])([H:51])[H:52])([C:3]([H:28])([H:29])[H:30])[H:49])([C:5]([H:31])([H:32])[H:33])[C:6]([H:34])([H:35])[H:36])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([C@:11]([N:12]([H:37])[H:38])([C:13](=[O:14])[O:15][H:39])[H:40])[H:41].[H]OC(=O)C([H])([H])C([H])([H])C(=O)[O:27][H]
Derived Operators
EVODEX.1-F134 - Elemental Balance
| O | 3 |
| C | 4 |
| H | 6 |
EVODEX.1-M25 - Mass Difference
102.03168
EVODEX.1-E780 - Reaction Operator E
[#6:12]-[#6:13](-[H:33])(-[H])-[#6@@:14].[#8:31]=[#8:32]>>[#6:12]-[#6@:13](-[#8:32]-[H])(-[H:33])-[#6@@:14].[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](=[#8])-[#8:31]-[H])(-[H])-[H])(-[H])-[H]
EVODEX.1-C50 - Reaction Operator C
[H]-[#6:10].[#8:26]=[#8:27]>>[H]-[#8:26]-[#6@@:10].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:27]-[H]
EVODEX.1-N148 - Reaction Operator N
[H]-[#6:10](-[#6:9])(-[#6@:11])-[H:41].[#8:26]=[#8:27]>>[H]-[#8:26]-[#6@@:10](-[#6:9])(-[#6@:11])-[H:41].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:27]-[H]
EVODEX.1-Em230 - Reaction Operator Em
[H]-[#6:10](-[#6:9])-[#6:11].[#8:26]=[#8:27]>>[H]-[#8:26]-[#6:10](-[#6:9])-[#6:11].[#6]-[#6](=[#8])-[#8:27]-[H]
EVODEX.1-Nm228 - Reaction Operator Nm
[H]-[#6:10](-[#6:9])-[#6:11].[#8:26]=[#8:27]>>[H]-[#8:26]-[#6:10](-[#6:9])-[#6:11].[#6]-[#6](=[#8])-[#8:27]-[H]
Source Full Reactions
EVODEX.1-R413
[H][C:10]([C:9]([C:8]([C:7]([N+:4]([C:2]([C:1]([H:50])([H:51])[H:52])([C:3]([H:28])([H:29])[H:30])[H:49])([C:5]([H:31])([H:32])[H:33])[C:6]([H:34])([H:35])[H:36])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([C@:11]([N:12]([H:37])[H:38])([C:13](=[O:14])[O:15][H:39])[H:40])[H:41].[H][O:25][C:23]([C:21]([C:20]([C:19]([C:17](=[O:16])[O:18][H:53])([H:57])[H:58])([H:55])[H:56])=[O:22])=[O:24].[O:26]=[O:27]>>[C:23](=[O:24])=[O:25].[H][O:26][C@@:10]([C:9]([C:8]([C:7]([N+:4]([C:2]([C:1]([H:50])([H:51])[H:52])([C:3]([H:28])([H:29])[H:30])[H:49])([C:5]([H:31])([H:32])[H:33])[C:6]([H:34])([H:35])[H:36])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([C@:11]([N:12]([H:37])[H:38])([C:13](=[O:14])[O:15][H:39])[H:40])[H:41].[H][O:27][C:21]([C:20]([C:19]([C:17](=[O:16])[O:18][H:53])([H:57])[H:58])([H:55])[H:56])=[O:22]