SMIRKS
[C:1]([C:2]([C:3]([C:4](=[O:5])[O:6][P:7](=[O:8])([O:9][H:30])[O:10][C:11]([C@@:12]1([H:31])[O:13][C@:14]([N:15]2:[C:16]([H:32]):[N:17]:[C:18]3:[C:19](=[O:20]):[N:21]([H:33]):[C:22]([H:34]):[N:23]:[C:24]:2:3)([H:35])[C@@:25]([O:26][H:36])([H:37])[C@@:27]1([O:28][H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])([H:47])[H:48]>>[H]O[C:4]([C:3]([C:2]([C:1]([H:46])([H:47])[H:48])([H:44])[H:45])([H:42])[H:43])=[O:5].[H][O:6][P:7](=[O:8])([O:9][H:30])[O:10][C:11]([C@@:12]1([H:31])[O:13][C@:14]([N:15]2:[C:16]([H:32]):[N:17]:[C:18]3:[C:19](=[O:20]):[N:21]([H:33]):[C:22]([H:34]):[N:23]:[C:24]:2:3)([H:35])[C@@:25]([O:26][H:36])([H:37])[C@@:27]1([O:28][H:38])[H:39])([H:40])[H:41]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E379 - Reaction Operator E
[#8:2]=[#6:3](-[#8:4]-[#15:5])-[#6:9]>>[#8](-[#6:3](=[#8:2])-[#6:9])-[H].[#8:4](-[#15:5])-[H]
EVODEX.1-N1124 - Reaction Operator N
[#8:2]=[#6:3](-[#8:4]-[#15:5])-[#6:9]>>[H]-[#8]-[#6:3](=[#8:2])-[#6:9].[H]-[#8:4]-[#15:5]
EVODEX.1-Em623 - Reaction Operator Em
[#8:2]=[#6:3](-[#8:4]-[#15:5])-[#6:9]>>[H]-[#8]-[#6:3](=[#8:2])-[#6:9].[H]-[#8:4]-[#15:5]
EVODEX.1-Nm558 - Reaction Operator Nm
[#8:2]=[#6:3](-[#8:4]-[#15:5])-[#6:9]>>[H]-[#8]-[#6:3](=[#8:2])-[#6:9].[H]-[#8:4]-[#15:5]
Source Full Reactions
EVODEX.1-R6621
[C:1]([C:2]([C:3]([C:4](=[O:5])[O:6][P:7](=[O:8])([O:9][H:30])[O:10][C:11]([C@@:12]1([H:31])[O:13][C@:14]([N:15]2:[C:16]([H:32]):[N:17]:[C:18]3:[C:19](=[O:20]):[N:21]([H:33]):[C:22]([H:34]):[N:23]:[C:24]:2:3)([H:35])[C@@:25]([O:26][H:36])([H:37])[C@@:27]1([O:28][H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])([H:47])[H:48].[H][O:29][H:49]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[O:29][H:49])([H:42])[H:43])([H:44])[H:45])([H:46])([H:47])[H:48].[H][O:6][P:7](=[O:8])([O:9][H:30])[O:10][C:11]([C@@:12]1([H:31])[O:13][C@:14]([N:15]2:[C:16]([H:32]):[N:17]:[C:18]3:[C:19](=[O:20]):[N:21]([H:33]):[C:22]([H:34]):[N:23]:[C:24]:2:3)([H:35])[C@@:25]([O:26][H:36])([H:37])[C@@:27]1([O:28][H:38])[H:39])([H:40])[H:41]