SMIRKS
[H][C:1]([C:2]1:[C:3]([H:31]):[N:4]([C@:5]2([H:32])[O:6][C@@:7]([C:8]([O:9][H:33])([H:34])[H:35])([H:36])[C@:10]([O:11][H:37])([H:38])[C@@:12]2([O:13][H:39])[H:40]):[C:14](=[O:15]):[N:16]([H:41]):[C:17]:1=[O:18])([H:42])[H:43].[O:29]=[O:30]>>[H][O:29][C:1]([C:2]1:[C:3]([H:31]):[N:4]([C@:5]2([H:32])[O:6][C@@:7]([C:8]([O:9][H:33])([H:34])[H:35])([H:36])[C@:10]([O:11][H:37])([H:38])[C@@:12]2([O:13][H:39])[H:40]):[C:14](=[O:15]):[N:16]([H:41]):[C:17]:1=[O:18])([H:42])[H:43].[H]OC(=O)C([H])([H])C([H])([H])C(=O)[O:30][H]
Derived Operators
EVODEX.1-F134 - Elemental Balance
| O | 3 |
| C | 4 |
| H | 6 |
EVODEX.1-M25 - Mass Difference
102.03168
EVODEX.1-E779 - Reaction Operator E
[#6:4](-[#6@:3])(-[H:22])(-[H:23])-[H].[#8:20]=[#8:21]>>[#6:4](-[#6@:3])(-[#8:20]-[H])(-[H:22])-[H:23].[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](=[#8])-[#8:21]-[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-N169 - Reaction Operator N
[H]-[#6:4](-[#6@@:3])(-[H:22])-[H:23].[#8:20]=[#8:21]>>[H]-[#8:20]-[#6:4](-[#6@@:3])(-[H:22])-[H:23].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:21]-[H]
EVODEX.1-Em251 - Reaction Operator Em
[H]-[#6:4]-[#6:3].[#8:20]=[#8:21]>>[H]-[#8:20]-[#6:4]-[#6:3].[#6]-[#6](=[#8])-[#8:21]-[H]
EVODEX.1-Nm249 - Reaction Operator Nm
[H]-[#6:4]-[#6:3].[#8:20]=[#8:21]>>[H]-[#8:20]-[#6:4]-[#6:3].[#6]-[#6](=[#8])-[#8:21]-[H]
Source Full Reactions
EVODEX.1-R391
[H][C:1]([C:2]1:[C:3]([H:31]):[N:4]([C@:5]2([H:32])[O:6][C@@:7]([C:8]([O:9][H:33])([H:34])[H:35])([H:36])[C@:10]([O:11][H:37])([H:38])[C@@:12]2([O:13][H:39])[H:40]):[C:14](=[O:15]):[N:16]([H:41]):[C:17]:1=[O:18])([H:42])[H:43].[H][O:28][C:26]([C:24]([C:23]([C:22]([C:20](=[O:19])[O:21][H:45])([H:49])[H:50])([H:47])[H:48])=[O:25])=[O:27].[O:29]=[O:30]>>[C:26](=[O:27])=[O:28].[H][O:29][C:1]([C:2]1:[C:3]([H:31]):[N:4]([C@:5]2([H:32])[O:6][C@@:7]([C:8]([O:9][H:33])([H:34])[H:35])([H:36])[C@:10]([O:11][H:37])([H:38])[C@@:12]2([O:13][H:39])[H:40]):[C:14](=[O:15]):[N:16]([H:41]):[C:17]:1=[O:18])([H:42])[H:43].[H][O:30][C:24]([C:23]([C:22]([C:20](=[O:19])[O:21][H:45])([H:49])[H:50])([H:47])[H:48])=[O:25]