SMIRKS
[H][C@:4]([C:2]([C:1]([H:28])([H:29])[H:30])([C:3]([H:20])([H:21])[H:22])[H:27])([N:5]([H:23])[H:24])[C:6](=[O:7])[O:8][H:25]>>O=[C:4]([C:2]([C:1]([H:28])([H:29])[H:30])([C:3]([H:20])([H:21])[H:22])[H:27])[C:6](=[O:7])[O:8][H:25].[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])(C(=O)O[H])[N:5]([H:23])[H:24]
Derived Operators
EVODEX.1-F149 - Elemental Balance
| C | 6 |
| O | 5 |
| H | 8 |
EVODEX.1-M250 - Mass Difference
160.03713999999997
EVODEX.1-E812 - Reaction Operator E
[#6:2]-[#6@@:4](-[#7:5](-[H:23])-[H:24])(-[#6:6]=[#8:7])-[H]>>[#6:2]-[#6:4](-[#6:6]=[#8:7])=[#8].[#7:5](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:23])-[H:24]
EVODEX.1-C467 - Reaction Operator C
[H]-[#6@:4]-[#7:5]>>[#8]=[#6:4].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:5]
EVODEX.1-N567 - Reaction Operator N
[H]-[#6@:4](-[#6:2])(-[#7:5](-[H:23])-[H:24])-[#6:6]>>[#8]=[#6:4](-[#6:2])-[#6:6].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:5](-[H:23])-[H:24]
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-R3845
[H][C@:4]([C:2]([C:1]([H:28])([H:29])[H:30])([C:3]([H:20])([H:21])[H:22])[H:27])([N:5]([H:23])[H:24])[C:6](=[O:7])[O:8][H:25].[O:9]=[C:10]([O:11][H:31])[C:12]([C:13]([C:14]([C:15](=[O:16])[C:17](=[O:18])[O:19][H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38]>>[C:1]([C:2]([C:3]([H:20])([H:21])[H:22])([C:4]([C:6](=[O:7])[O:8][H:25])=[O:16])[H:27])([H:28])([H:29])[H:30].[H][C:15]([N:5]([H:23])[H:24])([C:14]([C:13]([C:12]([C:10](=[O:9])[O:11][H:31])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])[C:17](=[O:18])[O:19][H:32]