SMIRKS
[H][C:13]([C:12]1:[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:32])[O:11][H:33])([H:34])[H:35]):[C:4]([H:31]):[N:3]:[C:2]([C:1]([H:49])([H:50])[H:51]):[C:26]:1[O:27][H:48])([N:14]([C@@:15]([C:16]([C:17]1:[C:18]([H:36]):[C:19]([H:37]):[C:20]([H:38]):[C:21]([H:39]):[C:22]:1[H:40])([H:41])[H:42])([C:23](=[O:24])[O:25][H:43])[H:44])[H:45])[H:46]>>O=[C:13]([C:12]1:[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:32])[O:11][H:33])([H:34])[H:35]):[C:4]([H:31]):[N:3]:[C:2]([C:1]([H:49])([H:50])[H:51]):[C:26]:1[O:27][H:48])[H:46].[H][N:14]([C@@:15]([C:16]([C:17]1:[C:18]([H:36]):[C:19]([H:37]):[C:20]([H:38]):[C:21]([H:39]):[C:22]:1[H:40])([H:41])[H:42])([C:23](=[O:24])[O:25][H:43])[H:44])[H:45]
Derived Operators
EVODEX.1-M6 - Mass Difference
15.9949
EVODEX.1-E416 - Reaction Operator E
[#6:1]-[#6:2](-[#7:3](-[#6:4])-[H:28])(-[H:29])-[H]>>[#6:1]-[#6:2](=[#8])-[H:29].[#7:3](-[#6:4])(-[H:28])-[H]
EVODEX.1-N187 - Reaction Operator N
[H]-[#6:13](-[#6:12])(-[#7:14](-[#6:15])-[H:55])-[H:56]>>[#8]=[#6:13](-[#6:12])-[H:56].[H]-[#7:14](-[#6:15])-[H:55]
EVODEX.1-Em269 - Reaction Operator Em
[H]-[#6:13](-[#6:12])-[#7:14]-[#6:15]>>[#8]=[#6:13]-[#6:12].[H]-[#7:14]-[#6:15]
EVODEX.1-Nm267 - Reaction Operator Nm
[H]-[#6:13](-[#6:12])-[#7:14]-[#6:15]>>[#8]=[#6:13]-[#6:12].[H]-[#7:14]-[#6:15]
Source Full Reactions
EVODEX.1-R1022
[H][C:13]([C:12]1:[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:32])[O:11][H:33])([H:34])[H:35]):[C:4]([H:31]):[N:3]:[C:2]([C:1]([H:49])([H:50])[H:51]):[C:26]:1[O:27][H:48])([N:14]([C@@:15]([C:16]([C:17]1:[C:18]([H:36]):[C:19]([H:37]):[C:20]([H:38]):[C:21]([H:39]):[C:22]:1[H:40])([H:41])[H:42])([C:23](=[O:24])[O:25][H:43])[H:44])[H:45])[H:46].[O:29]=[O:30].[H][O:28][H]>>[C:1]([C:2]1:[N:3]:[C:4]([H:31]):[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:32])[O:11][H:33])([H:34])[H:35]):[C:12]([C:13](=[O:28])[H:46]):[C:26]:1[O:27][H:48])([H:49])([H:50])[H:51].[H][N:14]([C@@:15]([C:16]([C:17]1:[C:18]([H:36]):[C:19]([H:37]):[C:20]([H:38]):[C:21]([H:39]):[C:22]:1[H:40])([H:41])[H:42])([C:23](=[O:24])[O:25][H:43])[H:44])[H:45].[H][O:29][O:30][H]