SMIRKS
[N:1]([C@:2]1([H:33])[C@:3]([O:4][C@@:5]2([H:34])[O:6][C:7]([C:8](=[O:9])[O:10][H:35])=[C:11]([H:36])[C@@:12]([O:13][H:37])([H:38])[C@:14]2([O:15][H:39])[H:40])([H:41])[C@:16]([O:17][S:18](=[O:19])(=[O:20])[O:21][H:42])([H:43])[C@:22]([C:23]([O:24][S:25](=[O:26])(=[O:27])[O:28][H:44])([H:45])[H:46])([H:47])[O:29][C@@:30]1([O:31][H:48])[H:49])([H:50])[H:51]>>[H]O[C:23]([C@:22]1([H:47])[C@@:16]([O:17][S:18](=[O:19])(=[O:20])[O:21][H:42])([H:43])[C@@:3]([O:4][C@@:5]2([H:34])[O:6][C:7]([C:8](=[O:9])[O:10][H:35])=[C:11]([H:36])[C@@:12]([O:13][H:37])([H:38])[C@:14]2([O:15][H:39])[H:40])([H:41])[C@:2]([N:1]([H:50])[H:51])([H:33])[C@:30]([O:31][H:48])([H:49])[O:29]1)([H:45])[H:46].[H][O:24][S:25](=[O:26])(=[O:27])[O:28][H:44]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E349 - Reaction Operator E
[#6:25](-[#6@@:24])(-[#8:26]-[#16:27])(-[H:43])-[H:44]>>[#6:25](-[#6@@:24])(-[#8]-[H])(-[H:43])-[H:44].[#8:26](-[#16:27])-[H]
EVODEX.1-C1003 - Reaction Operator C
([#6:37]-[#8:38].[#6@:3].[#6@:43]-[#6@@:45])>>([H]-[#8]-[#6:37].[#6@@:3].[#6@:45]-[#6@@:43]).[H]-[#8:38]
EVODEX.1-N1246 - Reaction Operator N
[#8:4]-[#6@@:3]1(-[#6@@:2]-[#6@:45](-[#6@@:43](-[#6@@:36](-[#8:35]-1)-[#6:37](-[#8:38]-[#16:39])(-[H:68])-[H:69])(-[#8:44])-[H:72])(-[#8:46])-[H:74])-[H:66]>>[H]-[#8]-[#6:37](-[#6@:36]1-[#8:35]-[#6@@:3](-[#8:4])(-[H:66])-[#6@@:2]-[#6@:45](-[#8:46])(-[H:74])-[#6@@:43]-1(-[#8:44])-[H:72])(-[H:68])-[H:69].[H]-[#8:38]-[#16:39]
EVODEX.1-Em627 - Reaction Operator Em
[#6:5]-[#6:6]-[#8:7]-[#16:8]>>[H]-[#8]-[#6:6]-[#6:5].[H]-[#8:7]-[#16:8]
EVODEX.1-Nm562 - Reaction Operator Nm
[#6:5]-[#6:6]-[#8:7]-[#16:8]>>[H]-[#8]-[#6:6]-[#6:5].[H]-[#8:7]-[#16:8]
Source Full Reactions
EVODEX.1-R5107
[N:1]([C@:2]1([H:33])[C@:3]([O:4][C@@:5]2([H:34])[O:6][C:7]([C:8](=[O:9])[O:10][H:35])=[C:11]([H:36])[C@@:12]([O:13][H:37])([H:38])[C@:14]2([O:15][H:39])[H:40])([H:41])[C@:16]([O:17][S:18](=[O:19])(=[O:20])[O:21][H:42])([H:43])[C@:22]([C:23]([O:24][S:25](=[O:26])(=[O:27])[O:28][H:44])([H:45])[H:46])([H:47])[O:29][C@@:30]1([O:31][H:48])[H:49])([H:50])[H:51].[H][O:32][H:52]>>[N:1]([C@:2]1([H:33])[C@:3]([O:4][C@@:5]2([H:34])[O:6][C:7]([C:8](=[O:9])[O:10][H:35])=[C:11]([H:36])[C@@:12]([O:13][H:37])([H:38])[C@:14]2([O:15][H:39])[H:40])([H:41])[C@:16]([O:17][S:18](=[O:19])(=[O:20])[O:21][H:42])([H:43])[C@:22]([C:23]([O:32][H:52])([H:45])[H:46])([H:47])[O:29][C@@:30]1([O:31][H:48])[H:49])([H:50])[H:51].[H][O:24][S:25](=[O:26])(=[O:27])[O:28][H:44]