SMIRKS
[O:2]=[C:3]([O:4][H:17])[C:5]([N:6]([C:7](=[O:8])[O:9][C:10]([C:11]1:[C:12]([H:18]):[C:13]([H:19]):[C:14]([H:20]):[C:15]([H:21]):[C:16]:1[H:22])([H:23])[H:24])[H:25])([H:26])[H:27]>>[C:7](=[O:8])=[O:9].[H][N:6]([C:5]([C:3](=[O:2])[O:4][H:17])([H:26])[H:27])[H:25].[H]O[C:10]([C:11]1:[C:12]([H:18]):[C:13]([H:19]):[C:14]([H:20]):[C:15]([H:21]):[C:16]:1[H:22])([H:23])[H:24]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E397 - Reaction Operator E
[#6:1]-[#6:2](-[#8:3]-[#6:4](=[#8:5])-[#7:6](-[#6:7])-[H:19])(-[H:20])-[H:21]>>[#6:1]-[#6:2](-[#8]-[H])(-[H:20])-[H:21].[#7:6](-[#6:7])(-[H:19])-[H].[#8:3]=[#6:4]=[#8:5]
EVODEX.1-C1135 - Reaction Operator C
[#6:3](-[#7:4])-[#8:16]-[#6:17]>>[H]-[#7:4].[#6:3]=[#8:16].[H]-[#8]-[#6:17]
EVODEX.1-N1406 - Reaction Operator N
[#8:2]=[#6:3](-[#7:4](-[#6@@:5])-[H:33])-[#8:16]-[#6:17](-[#6:18])(-[H:39])-[H:40]>>[H]-[#7:4](-[#6@@:5])-[H:33].[#8:2]=[#6:3]=[#8:16].[H]-[#8]-[#6:17](-[#6:18])(-[H:39])-[H:40]
EVODEX.1-Em674 - Reaction Operator Em
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#8:9]-[#6:10]-[#6:11]>>[#6:7](=[#8:8])=[#8:9].[H]-[#8]-[#6:10]-[#6:11].[H]-[#7:6]-[#6:5]
EVODEX.1-Cm268 - Reaction Operator Cm
[#7:6]-[#6:7]-[#8:9]-[#6:10]>>[#6:7]=[#8:9].[#8]-[#6:10].[H]-[#7:6]
EVODEX.1-Nm607 - Reaction Operator Nm
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#8:9]-[#6:10]-[#6:11]>>[#6:7](=[#8:8])=[#8:9].[H]-[#8]-[#6:10]-[#6:11].[H]-[#7:6]-[#6:5]
Source Full Reactions
EVODEX.1-R6416
[O:2]=[C:3]([O:4][H:17])[C:5]([N:6]([C:7](=[O:8])[O:9][C:10]([C:11]1:[C:12]([H:18]):[C:13]([H:19]):[C:14]([H:20]):[C:15]([H:21]):[C:16]:1[H:22])([H:23])[H:24])[H:25])([H:26])[H:27].[H][O:1][H:28]>>[C:7](=[O:8])=[O:9].[H][N:6]([C:5]([C:3](=[O:2])[O:4][H:17])([H:26])[H:27])[H:25].[O:1]([C:10]([C:11]1:[C:12]([H:18]):[C:13]([H:19]):[C:14]([H:20]):[C:15]([H:21]):[C:16]:1[H:22])([H:23])[H:24])[H:28]