SMIRKS
[H][C:5]([N:4]([C@:3]([C:2]([C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([C:20](=[O:21])[O:22][H:38])[H:39])[H:37])([C:6]1:[C:7]([C:8]([O:9][P:10](=[O:11])([O:12][H:26])[O:13][H:27])([H:28])[H:29]):[C:14]([H:30]):[N:15]:[C:16]([C:17]([H:31])([H:32])[H:33]):[C:18]:1[O:19][H:34])[H:35].[H][O:23][H]>>[H][N:4]([C@:3]([C:2]([C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([C:20](=[O:21])[O:22][H:38])[H:39])[H:37].[C:5]([C:6]1:[C:7]([C:8]([O:9][P:10](=[O:11])([O:12][H:26])[O:13][H:27])([H:28])[H:29]):[C:14]([H:30]):[N:15]:[C:16]([C:17]([H:31])([H:32])[H:33]):[C:18]:1[O:19][H:34])(=[O:23])[H:35]
Derived Operators
EVODEX.1-M5 - Mass Difference
-2.01566
EVODEX.1-E49 - Reaction Operator E
[#6:1]-[#6:2](-[#7:3](-[#6:4])-[H:28])(-[H:29])-[H].[#8:13](-[H])-[H]>>[#6:1]-[#6:2](=[#8:13])-[H:29].[#7:3](-[#6:4])(-[H:28])-[H]
EVODEX.1-N254 - Reaction Operator N
[H]-[#6:9](-[#6:8])(-[#7:10](-[#6:11])-[H:26])-[H:27].[H]-[#8:15]-[H]>>[H]-[#7:10](-[#6:11])-[H:26].[#6:8]-[#6:9](=[#8:15])-[H:27]
EVODEX.1-Em376 - Reaction Operator Em
[H]-[#6:9](-[#6:8])-[#7:10]-[#6:11].[H]-[#8:15]-[H]>>[H]-[#7:10]-[#6:11].[#6:8]-[#6:9]=[#8:15]
EVODEX.1-Nm336 - Reaction Operator Nm
[H]-[#6:9](-[#6:8])-[#7:10]-[#6:11].[H]-[#8:15]-[H]>>[H]-[#7:10]-[#6:11].[#6:8]-[#6:9]=[#8:15]
Source Full Reactions
EVODEX.1-R1031
[H][C:5]([N:4]([C@:3]([C:2]([C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([C:20](=[O:21])[O:22][H:38])[H:39])[H:37])([C:6]1:[C:7]([C:8]([O:9][P:10](=[O:11])([O:12][H:26])[O:13][H:27])([H:28])[H:29]):[C:14]([H:30]):[N:15]:[C:16]([C:17]([H:31])([H:32])[H:33]):[C:18]:1[O:19][H:34])[H:35].[O:24]=[O:25].[H][O:23][H]>>[H][N:4]([C@:3]([C:2]([C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([C:20](=[O:21])[O:22][H:38])[H:39])[H:37].[C:5]([C:6]1:[C:7]([C:8]([O:9][P:10](=[O:11])([O:12][H:26])[O:13][H:27])([H:28])[H:29]):[C:14]([H:30]):[N:15]:[C:16]([C:17]([H:31])([H:32])[H:33]):[C:18]:1[O:19][H:34])(=[O:23])[H:35].[H][O:24][O:25][H]