SMIRKS
[C:1]([C@:2]([N:3]([O:4][C:5](=[O:6])[C@:7]([C:8]([C:9]([C:10](=[O:11])[O:12][H:35])([H:36])[H:37])([H:38])[H:39])([N:13]([C:14](=[O:15])[O:16][C:17]([C:18]1([H:40])[C:19]2:[C:20]([H:41]):[C:21]([H:42]):[C:22]([H:43]):[C:23]([H:44]):[C:24]:2[C:25]2:[C:26]([H:45]):[C:27]([H:46]):[C:28]([H:47]):[C:29]([H:48]):[C:30]:21)([H:49])[H:50])[H:51])[H:52])[H:53])([C:31](=[O:32])[O:33][H:54])[H:55])([H:56])([H:57])[H:58]>>[H]O[C:14](=[O:15])[O:16][C:17]([C:18]1([H:40])[C:19]2:[C:20]([H:41]):[C:21]([H:42]):[C:22]([H:43]):[C:23]([H:44]):[C:24]:2[C:25]2:[C:26]([H:45]):[C:27]([H:46]):[C:28]([H:47]):[C:29]([H:48]):[C:30]:21)([H:49])[H:50].[H][N:13]([C@:7]([C:5]([O:4][N:3]([C@@:2]([C:1]([H:56])([H:57])[H:58])([C:31](=[O:32])[O:33][H:54])[H:55])[H:53])=[O:6])([C:8]([C:9]([C:10](=[O:11])[O:12][H:35])([H:36])[H:37])([H:38])[H:39])[H:52])[H:51]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E369 - Reaction Operator E
[#7:6](-[#6@@:5])(-[#6:7](=[#8:8])-[#8:9])-[H:28]>>[#6:7](=[#8:8])(-[#8:9])-[#8]-[H].[#7:6](-[#6@@:5])(-[H:28])-[H]
EVODEX.1-C917 - Reaction Operator C
([#7:45]-[#6:46].[#6@@:41])>>[H]-[#8]-[#6:46].([H]-[#7:45].[#6@:41])
EVODEX.1-N1805 - Reaction Operator N
([#6:1]-[#6@:2](-[#7:3])(-[#6:31])-[H:55].[#7:13](-[#6@:7])(-[#6:14](=[#8:15])-[#8:16])-[H:51])>>[H]-[#8]-[#6:14](=[#8:15])-[#8:16].([H]-[#7:13](-[#6@:7])-[H:51].[#7:3]-[#6@@:2](-[#6:1])(-[#6:31])-[H:55])
EVODEX.1-Em649 - Reaction Operator Em
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#8:9]>>[H]-[#8]-[#6:7](=[#8:8])-[#8:9].[H]-[#7:6]-[#6:5]
EVODEX.1-Nm582 - Reaction Operator Nm
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#8:9]>>[H]-[#8]-[#6:7](=[#8:8])-[#8:9].[H]-[#7:6]-[#6:5]
Source Full Reactions
EVODEX.1-R5682
[C:1]([C@:2]([N:3]([O:4][C:5](=[O:6])[C@:7]([C:8]([C:9]([C:10](=[O:11])[O:12][H:35])([H:36])[H:37])([H:38])[H:39])([N:13]([C:14](=[O:15])[O:16][C:17]([C:18]1([H:40])[C:19]2:[C:20]([H:41]):[C:21]([H:42]):[C:22]([H:43]):[C:23]([H:44]):[C:24]:2[C:25]2:[C:26]([H:45]):[C:27]([H:46]):[C:28]([H:47]):[C:29]([H:48]):[C:30]:21)([H:49])[H:50])[H:51])[H:52])[H:53])([C:31](=[O:32])[O:33][H:54])[H:55])([H:56])([H:57])[H:58].[H][O:34][H:59]>>[C:14](=[O:15])([O:16][C:17]([C:18]1([H:40])[C:19]2:[C:20]([H:41]):[C:21]([H:42]):[C:22]([H:43]):[C:23]([H:44]):[C:24]:2[C:25]2:[C:26]([H:45]):[C:27]([H:46]):[C:28]([H:47]):[C:29]([H:48]):[C:30]:21)([H:49])[H:50])[O:34][H:59].[H][N:13]([C@:7]([C:5]([O:4][N:3]([C@@:2]([C:1]([H:56])([H:57])[H:58])([C:31](=[O:32])[O:33][H:54])[H:55])[H:53])=[O:6])([C:8]([C:9]([C:10](=[O:11])[O:12][H:35])([H:36])[H:37])([H:38])[H:39])[H:52])[H:51]