SMIRKS
[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:34])[C@@:6]([C@@:7]([O:8][H:35])([C@@:9]([O:10][H:36])([C:11]([O:12][H:37])([H:38])[H:39])[H:40])[H:41])([H:42])[O:13][C@:14]([O:15][C:16]([C@@:17]2([H:43])[O:18][C@:19]([O:20][H:44])([H:45])[C@@:21]([O:22][H:46])([H:47])[C@:23]([O:24][H:48])([H:49])[C@:25]2([O:26][H:50])[H:51])([H:52])[H:53])([C:27](=[O:28])[O:29][H:54])[C:30]([H:55])([H:56])[C@@:31]1([O:32][H:57])[H:58])[H:59])([H:60])([H:61])[H:62]>>[H]O[C@:14]1([C:27](=[O:28])[O:29][H:54])[O:13][C@:6]([C@@:7]([O:8][H:35])([C@@:9]([O:10][H:36])([C:11]([O:12][H:37])([H:38])[H:39])[H:40])[H:41])([H:42])[C@@:5]([N:4]([C:2]([C:1]([H:60])([H:61])[H:62])=[O:3])[H:59])([H:34])[C@:31]([O:32][H:57])([H:58])[C:30]1([H:55])[H:56].[H][O:15][C:16]([C@@:17]1([H:43])[O:18][C@:19]([O:20][H:44])([H:45])[C@@:21]([O:22][H:46])([H:47])[C@:23]([O:24][H:48])([H:49])[C@:25]1([O:26][H:50])[H:51])([H:52])[H:53]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E388 - Reaction Operator E
[#8:13]-[#6@:14](-[#8:15]-[#6:16])(-[#6:22])-[#6:25]>>[#8:13]-[#6@:14](-[#6:22])(-[#8]-[H])-[#6:25].[#8:15](-[#6:16])-[H]
EVODEX.1-C1004 - Reaction Operator C
([#8:15]-[#6@:14].[#6@@:6].[#6@@:31])>>([H]-[#8]-[#6@:14].[#6@:6].[#6@:31]).[H]-[#8:15]
EVODEX.1-N1251 - Reaction Operator N
[H:42]-[#6@@:6]1(-[#6@@:5]-[#6@:31](-[#6:30]-[#6@@:14](-[#8:13]-1)(-[#8:15]-[#6:16])-[#6:27])(-[#8:32])-[H:58])-[#6@@:7]>>[H]-[#8]-[#6@:14]1(-[#6:27])-[#8:13]-[#6@:6](-[#6@@:7])(-[H:42])-[#6@@:5]-[#6@:31](-[#8:32])(-[H:58])-[#6:30]-1.[H]-[#8:15]-[#6:16]
EVODEX.1-Em632 - Reaction Operator Em
[#8:13]-[#6:14](-[#8:15]-[#6:16])(-[#6:27])-[#6:30]>>[H]-[#8]-[#6:14](-[#6:27])(-[#8:13])-[#6:30].[H]-[#8:15]-[#6:16]
EVODEX.1-Nm567 - Reaction Operator Nm
[#8:13]-[#6:14](-[#8:15]-[#6:16])(-[#6:27])-[#6:30]>>[H]-[#8]-[#6:14](-[#6:27])(-[#8:13])-[#6:30].[H]-[#8:15]-[#6:16]
Source Full Reactions
EVODEX.1-R5252
[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:34])[C@@:6]([C@@:7]([O:8][H:35])([C@@:9]([O:10][H:36])([C:11]([O:12][H:37])([H:38])[H:39])[H:40])[H:41])([H:42])[O:13][C@:14]([O:15][C:16]([C@@:17]2([H:43])[O:18][C@:19]([O:20][H:44])([H:45])[C@@:21]([O:22][H:46])([H:47])[C@:23]([O:24][H:48])([H:49])[C@:25]2([O:26][H:50])[H:51])([H:52])[H:53])([C:27](=[O:28])[O:29][H:54])[C:30]([H:55])([H:56])[C@@:31]1([O:32][H:57])[H:58])[H:59])([H:60])([H:61])[H:62].[H][O:33][H:63]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:34])[C@@:6]([C@@:7]([O:8][H:35])([C@@:9]([O:10][H:36])([C:11]([O:12][H:37])([H:38])[H:39])[H:40])[H:41])([H:42])[O:13][C@@:14]([C:27](=[O:28])[O:29][H:54])([O:33][H:63])[C:30]([H:55])([H:56])[C@@:31]1([O:32][H:57])[H:58])[H:59])([H:60])([H:61])[H:62].[H][O:15][C:16]([C@@:17]1([H:43])[O:18][C@:19]([O:20][H:44])([H:45])[C@@:21]([O:22][H:46])([H:47])[C@:23]([O:24][H:48])([H:49])[C@:25]1([O:26][H:50])[H:51])([H:52])[H:53]