SMIRKS
[H][C@@:2]([N:1]([H:29])[H:30])([C:3]([C:4]1:[C:5]([H:22]):[N:6]:[C:7]([H:23]):[N:8]:1[H:24])([H:25])[H:26])[C:9](=[O:10])[O:11][H:27]>>O=[C:2]([C:3]([C:4]1:[C:5]([H:22]):[N:6]:[C:7]([H:23]):[N:8]:1[H:24])([H:25])[H:26])[C:9](=[O:10])[O:11][H:27].[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])[N:1]([H:29])[H:30]
Derived Operators
EVODEX.1-F60 - Elemental Balance
| O | 5 |
| C | 5 |
| H | 6 |
EVODEX.1-M58 - Mass Difference
146.02147999999997
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-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-R3612
[H][C@@:2]([N:1]([H:29])[H:30])([C:3]([C:4]1:[C:5]([H:22]):[N:6]:[C:7]([H:23]):[N:8]:1[H:24])([H:25])[H:26])[C:9](=[O:10])[O:11][H:27].[O:12]=[C:13]([O:14][H:31])[C:15]([C:16]([C:17](=[O:18])[C:19](=[O:20])[O:21][H:32])([H:33])[H:34])([H:35])[H:36]>>[C:2]([C:3]([C:4]1:[C:5]([H:22]):[N:6]:[C:7]([H:23]):[N:8]:1[H:24])([H:25])[H:26])([C:9](=[O:10])[O:11][H:27])=[O:18].[H][C@:17]([N:1]([H:29])[H:30])([C:16]([C:15]([C:13](=[O:12])[O:14][H:31])([H:35])[H:36])([H:33])[H:34])[C:19](=[O:20])[O:21][H:32]