SMIRKS
[N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]:1[H:26])([H:27])[H:28])[H:29])([C:18](=[O:19])[O:20][H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37]>>[H]O[C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]:1[H:26])([H:27])[H:28].[H][N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:36])[H:37])=[O:3])([H:34])[H:35])([H:32])[H:33])([C:18](=[O:19])[O:20][H:30])[H:31])[H:29]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E369 - Reaction Operator E
[#7:6](-[#6@@:5])(-[#6:7](=[#8:8])-[#8:9])-[H:28]>>[#6:7](=[#8:8])(-[#8:9])-[#8]-[H].[#7:6](-[#6@@:5])(-[H:28])-[H]
EVODEX.1-N1262 - Reaction Operator N
[#6:4]-[#6@@:5](-[#7:6](-[#6:7](=[#8:8])-[#8:9])-[H:28])(-[#6:17])-[H:30]>>[H]-[#8]-[#6:7](=[#8:8])-[#8:9].[H]-[#7:6](-[#6@:5](-[#6:4])(-[#6:17])-[H:30])-[H:28]
EVODEX.1-Em649 - Reaction Operator Em
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#8:9]>>[H]-[#8]-[#6:7](=[#8:8])-[#8:9].[H]-[#7:6]-[#6:5]
EVODEX.1-Nm582 - Reaction Operator Nm
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#8:9]>>[H]-[#8]-[#6:7](=[#8:8])-[#8:9].[H]-[#7:6]-[#6:5]
Source Full Reactions
EVODEX.1-R5700
[N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]:1[H:26])([H:27])[H:28])[H:29])([C:18](=[O:19])[O:20][H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37].[H][O:21][H:38]>>[C:8](=[O:9])([O:10][C:11]([C:12]1:[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]:1[H:26])([H:27])[H:28])[O:21][H:38].[H][N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:36])[H:37])=[O:3])([H:34])[H:35])([H:32])[H:33])([C:18](=[O:19])[O:20][H:30])[H:31])[H:29]