SMIRKS
[C:1]([C:2]1:[C:3]([H:23]):[N:4]([C@@:5]2([H:24])[C:6]([H:25])([H:26])[C@@:7]([O:8][P:9](=[O:10])([O:11][H:27])[O:12][H:28])([H:29])[C@:13]([C:14]([O:15][H:30])([H:31])[H:32])([H:33])[O:16]2):[C:17](=[O:18]):[N:19]([H:34]):[C:20]:1=[O:21])([H:35])([H:36])[H:37]>>[H]O[C@@:7]1([H:29])[C:6]([H:25])([H:26])[C@@:5]([N:4]2:[C:3]([H:23]):[C:2]([C:1]([H:35])([H:36])[H:37]):[C:20](=[O:21]):[N:19]([H:34]):[C:17]:2=[O:18])([H:24])[O:16][C@@:13]1([C:14]([O:15][H:30])([H:31])[H:32])[H:33].[H][O:8][P:9](=[O:10])([O:11][H:27])[O:12][H:28]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E361 - Reaction Operator E
[#6:6]-[#6@@:7](-[#8:8]-[#15:9])(-[H:45])-[#6@:23]>>[#6:6]-[#6@@:7](-[#8]-[H])(-[H:45])-[#6@:23].[#8:8](-[#15:9])-[H]
EVODEX.1-C172 - Reaction Operator C
[#8:22]-[#6@@:21]-[#6@@:11]>>[H]-[#8]-[#6@@:21]-[#6@:11].[H]-[#8:22]
EVODEX.1-N1737 - Reaction Operator N
[#6:6]-[#6@@:7](-[#8:8]-[#15:9])(-[H:29])-[#6@:13](-[#6:14])(-[H:33])-[#8:16]>>[H]-[#8]-[#6@@:7](-[H:29])(-[#6:6])-[#6@:13](-[#8:16])(-[#6:14])-[H:33].[H]-[#8:8]-[#15:9]
EVODEX.1-Em619 - Reaction Operator Em
[#6:8]-[#6:15](-[#8:16]-[#15:17])-[#6:21]>>[H]-[#8]-[#6:15](-[#6:8])-[#6:21].[H]-[#8:16]-[#15:17]
EVODEX.1-Nm554 - Reaction Operator Nm
[#6:8]-[#6:15](-[#8:16]-[#15:17])-[#6:21]>>[H]-[#8]-[#6:15](-[#6:8])-[#6:21].[H]-[#8:16]-[#15:17]
Source Full Reactions
EVODEX.1-R5027
[C:1]([C:2]1:[C:3]([H:23]):[N:4]([C@@:5]2([H:24])[C:6]([H:25])([H:26])[C@@:7]([O:8][P:9](=[O:10])([O:11][H:27])[O:12][H:28])([H:29])[C@:13]([C:14]([O:15][H:30])([H:31])[H:32])([H:33])[O:16]2):[C:17](=[O:18]):[N:19]([H:34]):[C:20]:1=[O:21])([H:35])([H:36])[H:37].[H][O:22][H:38]>>[C:1]([C:2]1:[C:3]([H:23]):[N:4]([C@@:5]2([H:24])[C:6]([H:25])([H:26])[C@@:7]([O:22][H:38])([H:29])[C@:13]([C:14]([O:15][H:30])([H:31])[H:32])([H:33])[O:16]2):[C:17](=[O:18]):[N:19]([H:34]):[C:20]:1=[O:21])([H:35])([H:36])[H:37].[H][O:8][P:9](=[O:10])([O:11][H:27])[O:12][H:28]