SMIRKS
[H][C@@:2]1([N:1]([H:27])[H:28])[C:3]([H:21])([H:22])[C:4]([H:23])=[C:5]([C:6](=[O:7])[O:8][H:24])[C:9]1([H:25])[H:26]>>O=[C:2]1[C:3]([H:21])([H:22])[C:4]([H:23])=[C:5]([C:6](=[O:7])[O:8][H:24])[C:9]1([H:25])[H:26].[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])[N:1]([H:27])[H:28]
Derived Operators
EVODEX.1-F60 - Elemental Balance
| O | 5 |
| C | 5 |
| H | 6 |
EVODEX.1-M58 - Mass Difference
146.02147999999997
EVODEX.1-E596 - Reaction Operator E
[#7:40](-[#6@:39](-[#6@@:5])(-[#6@:37])-[H])(-[H:70])-[H:71]>>[#6:39](-[#6@@:5])(-[#6@:37])=[#8].[#7:40](-[#6@@](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:70])-[H:71]
EVODEX.1-C65 - Reaction Operator C
[H]-[#6@@:39]-[#7:40]>>[#8]=[#6:39].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:40]
EVODEX.1-N51 - Reaction Operator N
[H]-[#6@@:39](-[#7:40](-[H:70])-[H:71])(-[#6@:5])-[#6@:37]>>[#8]=[#6:39](-[#6@:5])-[#6@:37].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:40](-[H:70])-[H:71]
EVODEX.1-Em110 - Reaction Operator Em
[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]
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-R3597
[H][C@@:2]1([N:1]([H:27])[H:28])[C:3]([H:21])([H:22])[C:4]([H:23])=[C:5]([C:6](=[O:7])[O:8][H:24])[C:9]1([H:25])[H:26].[O:10]=[C:11]([O:12][H:29])[C:13]([C:14]([C:15](=[O:16])[C:17](=[O:18])[O:19][H:30])([H:31])[H:32])([H:33])[H:34]>>[C:2]1(=[O:16])[C:3]([H:21])([H:22])[C:4]([H:23])=[C:5]([C:6](=[O:7])[O:8][H:24])[C:9]1([H:25])[H:26].[H][C@:15]([N:1]([H:27])[H:28])([C:14]([C:13]([C:11](=[O:10])[O:12][H:29])([H:33])[H:34])([H:31])[H:32])[C:17](=[O:18])[O:19][H:30]