SMIRKS
[H]N([H])[C@:10]([H])([C:8]([C:7]([H:30])([H:31])[H:32])([C:9]([H:20])([H:21])[H:22])[H:29])[C:12]([C:13](=[O:14])[O:15][H:25])([H:26])[H:27]>>O=[C:10]([C:8]([C:7]([H:30])([H:31])[H:32])([C:9]([H:20])([H:21])[H:22])[H:29])[C:12]([C:13](=[O:14])[O:15][H:25])([H:26])[H:27]
Derived Operators
EVODEX.1-F72 - Elemental Balance
| O | 1 |
| N | -1 |
| H | -3 |
EVODEX.1-M60 - Mass Difference
-1.0316900000000002
EVODEX.1-E621 - Reaction Operator E
[#6:1]-[#6@:2](-[#7](-[H])-[H])(-[#6:4])-[H]>>[#6:1]-[#6:2](-[#6:4])=[#8]
EVODEX.1-N42 - Reaction Operator N
[H]-[#7](-[H])-[#6@@:8](-[H])(-[#6:7])-[#6:10]>>[#8]=[#6:8](-[#6:7])-[#6:10]
EVODEX.1-Em341 - Reaction Operator Em
[H]-[#7](-[H])-[#6:10](-[H])(-[#6:8])-[#6:12]>>[#8]=[#6:10](-[#6:8])-[#6:12]
EVODEX.1-Nm115 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:8](-[H])(-[#6:7])-[#6:10]>>[#8]=[#6:8](-[#6:7])-[#6:10]
Source Full Reactions
EVODEX.1-R3581
[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:16])([H:17])([H:18])[H:19].[H][C@:10]([C:8]([C:7]([H:30])([H:31])[H:32])([C:9]([H:20])([H:21])[H:22])[H:29])([N:11]([H:23])[H:24])[C:12]([C:13](=[O:14])[O:15][H:25])([H:26])[H:27]>>[H][C@:2]([C:1]([H:17])([H:18])[H:19])([C:4](=[O:5])[O:6][H:16])[N:11]([H:23])[H:24].[O:3]=[C:10]([C:8]([C:7]([H:30])([H:31])[H:32])([C:9]([H:20])([H:21])[H:22])[H:29])[C:12]([C:13](=[O:14])[O:15][H:25])([H:26])[H:27]