SMIRKS
[H][C:1]([C:2]1:[C:3]([H:23]):[N:4]([C:5]([H:24])([H:25])[H:26]):[C:6](=[O:7]):[N:8]([H:27]):[C:9]:1=[O:10])([H:28])[H:29].[O:21]=[O:22]>>[H][O:21][C:1]([C:2]1:[C:3]([H:23]):[N:4]([C:5]([H:24])([H:25])[H:26]):[C:6](=[O:7]):[N:8]([H:27]):[C:9]:1=[O:10])([H:28])[H:29].[H]OC(=O)C([H])([H])C([H])([H])C(=O)[O:22][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-R406
[H][C:1]([C:2]1:[C:3]([H:23]):[N:4]([C:5]([H:24])([H:25])[H:26]):[C:6](=[O:7]):[N:8]([H:27]):[C:9]:1=[O:10])([H:28])[H:29].[H][O:20][C:18]([C:16]([C:15]([C:14]([C:12](=[O:11])[O:13][H:31])([H:35])[H:36])([H:33])[H:34])=[O:17])=[O:19].[O:21]=[O:22]>>[C:18](=[O:19])=[O:20].[H][O:21][C:1]([C:2]1:[C:3]([H:23]):[N:4]([C:5]([H:24])([H:25])[H:26]):[C:6](=[O:7]):[N:8]([H:27]):[C:9]:1=[O:10])([H:28])[H:29].[H][O:22][C:16]([C:15]([C:14]([C:12](=[O:11])[O:13][H:31])([H:35])[H:36])([H:33])[H:34])=[O:17]