SMIRKS
[H]N([H])[C@@:6]([C:5]([C:4]([C:2]([N:1]([H])[H:35])=[O:3])([H:33])[H:34])([H:31])[H:32])([C:8](=[O:9])[N:10]([C@@:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:22])([H:23])[H:24])([H:25])[H:26])([C:17](=[O:18])[O:19][H:27])[H:28])[H:29])[H:30]>>[N:1]1([H:35])[C:2](=[O:3])[C:4]([H:33])([H:34])[C:5]([H:31])([H:32])[C@@:6]1([C:8](=[O:9])[N:10]([C@@:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:22])([H:23])[H:24])([H:25])[H:26])([C:17](=[O:18])[O:19][H:27])[H:28])[H:29])[H:30]
Derived Operators
EVODEX.1-F73 - Elemental Balance
| N | -1 |
| H | -3 |
EVODEX.1-M12 - Mass Difference
-17.02659
EVODEX.1-E623 - Reaction Operator E
([#7:8](-[#6@@:7])(-[H:19])-[H].[#7](-[#6@@:14](-[#6@@:2])(-[#6:16])-[H:34])(-[H])-[H])>>[#7:8](-[#6@@:7])(-[H:19])-[#6@@:14](-[#6@@:2])(-[#6:16])-[H:34]
EVODEX.1-N1202 - Reaction Operator N
([H]-[#7](-[H])-[#6@@:6](-[#6:5])(-[#6:8])-[H:67].[#6:2]-[#7:1](-[H])-[H:72])>>[#7:1](-[H:72])(-[#6:2])-[#6@:6](-[#6:5])(-[#6:8])-[H:67]
EVODEX.1-Em473 - Reaction Operator Em
([H]-[#7](-[H])-[#6:9](-[#6:7])-[#6:11].[#6:2]-[#7:1]-[H])>>[#7:1](-[#6:2])-[#6:9](-[#6:7])-[#6:11]
EVODEX.1-Nm424 - Reaction Operator Nm
([H]-[#7](-[H])-[#6:9](-[#6:7])-[#6:11].[#6:2]-[#7:1]-[H])>>[#7:1](-[#6:2])-[#6:9](-[#6:7])-[#6:11]
Source Full Reactions
EVODEX.1-R2897
[H][N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([H:20])[H:21])([C:8](=[O:9])[N:10]([C@@:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:22])([H:23])[H:24])([H:25])[H:26])([C:17](=[O:18])[O:19][H:27])[H:28])[H:29])[H:30])([H:31])[H:32])([H:33])[H:34])[H:35]>>[H][N:7]([H:20])[H:21].[N:1]1([H:35])[C:2](=[O:3])[C:4]([H:33])([H:34])[C:5]([H:31])([H:32])[C@@:6]1([C:8](=[O:9])[N:10]([C@@:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:22])([H:23])[H:24])([H:25])[H:26])([C:17](=[O:18])[O:19][H:27])[H:28])[H:29])[H:30]