SMIRKS
[H][C:4]([C@@:3]([C:2]([C:1]([H:32])([H:33])[H:34])([H:30])[H:31])([C@:5]([N:6]([H:25])[H:26])([C:7](=[O:8])[O:9][H:27])[H:28])[H:29])([H:22])[H:23].[O:20]=[O:21]>>[H][O:20][C:4]([C@@:3]([C:2]([C:1]([H:32])([H:33])[H:34])([H:30])[H:31])([C@:5]([N:6]([H:25])[H:26])([C:7](=[O:8])[O:9][H:27])[H:28])[H:29])([H:22])[H:23].[H]OC(=O)C([H])([H])C([H])([H])C(=O)[O:21][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-R412
[H][C:4]([C@@:3]([C:2]([C:1]([H:32])([H:33])[H:34])([H:30])[H:31])([C@:5]([N:6]([H:25])[H:26])([C:7](=[O:8])[O:9][H:27])[H:28])[H:29])([H:22])[H:23].[H][O:19][C:17]([C:15]([C:14]([C:13]([C:11](=[O:10])[O:12][H:35])([H:39])[H:40])([H:37])[H:38])=[O:16])=[O:18].[O:20]=[O:21]>>[C:17](=[O:18])=[O:19].[H][O:20][C:4]([C@@:3]([C:2]([C:1]([H:32])([H:33])[H:34])([H:30])[H:31])([C@:5]([N:6]([H:25])[H:26])([C:7](=[O:8])[O:9][H:27])[H:28])[H:29])([H:22])[H:23].[H][O:21][C:15]([C:14]([C:13]([C:11](=[O:10])[O:12][H:35])([H:39])[H:40])([H:37])[H:38])=[O:16]