SMIRKS
[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@@:6]([N:7]([H:37])[H:38])([C:8]([C:9]([C:10]([C:11]([N:12]([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])[H:49])[H:50])([C:13](=[O:14])[N:15]([N:16]([C:17](=[O:18])[C:19]1:[C:20]([H:51]):[C:21]([H:52]):[C:22]([H:53]):[C:23]2:[C:24]:1[C:25](=[O:26])[C:27]1:[C:28]([H:54]):[C:29]([H:55]):[C:30]([H:56]):[C:31]([Cl:32]):[C:33]:1[C:34]2=[O:35])[H:57])[H:58])[H:59])([H:60])([H:61])[H:62]>>[H]O[C:13]([C@:2]([C:1]([H:60])([H:61])[H:62])([N:3]([C:4](=[O:5])[C@@:6]([N:7]([H:37])[H:38])([C:8]([C:9]([C:10]([C:11]([N:12]([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])[H:49])[H:50])[H:59])=[O:14].[H][N:15]([N:16]([C:17](=[O:18])[C:19]1:[C:20]([H:51]):[C:21]([H:52]):[C:22]([H:53]):[C:23]2:[C:24]:1[C:25](=[O:26])[C:27]1:[C:28]([H:54]):[C:29]([H:55]):[C:30]([H:56]):[C:31]([Cl:32]):[C:33]:1[C:34]2=[O:35])[H:57])[H:58]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E375 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#7:5](-[#7:6])-[H:10]>>[#6:2]-[#6:3](=[#8:4])-[#8]-[H].[#7:5](-[#7:6])(-[H:10])-[H]
EVODEX.1-N1203 - Reaction Operator N
[#6:1]-[#6:2](=[#8:3])-[#7:4](-[#7:5])-[H:9]>>[H]-[#8]-[#6:2](-[#6:1])=[#8:3].[H]-[#7:4](-[#7:5])-[H:9]
EVODEX.1-Em478 - Reaction Operator Em
[#6:1]-[#6:2](=[#8:3])-[#7:4]-[#7:5]>>[H]-[#8]-[#6:2](-[#6:1])=[#8:3].[H]-[#7:4]-[#7:5]
EVODEX.1-Nm429 - Reaction Operator Nm
[#6:1]-[#6:2](=[#8:3])-[#7:4]-[#7:5]>>[H]-[#8]-[#6:2](-[#6:1])=[#8:3].[H]-[#7:4]-[#7:5]
Source Full Reactions
EVODEX.1-R5615
[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@@:6]([N:7]([H:37])[H:38])([C:8]([C:9]([C:10]([C:11]([N:12]([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])[H:49])[H:50])([C:13](=[O:14])[N:15]([N:16]([C:17](=[O:18])[C:19]1:[C:20]([H:51]):[C:21]([H:52]):[C:22]([H:53]):[C:23]2:[C:24]:1[C:25](=[O:26])[C:27]1:[C:28]([H:54]):[C:29]([H:55]):[C:30]([H:56]):[C:31]([Cl:32]):[C:33]:1[C:34]2=[O:35])[H:57])[H:58])[H:59])([H:60])([H:61])[H:62].[H][O:36][H:63]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@@:6]([N:7]([H:37])[H:38])([C:8]([C:9]([C:10]([C:11]([N:12]([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])[H:49])[H:50])([C:13](=[O:14])[O:36][H:63])[H:59])([H:60])([H:61])[H:62].[H][N:15]([N:16]([C:17](=[O:18])[C:19]1:[C:20]([H:51]):[C:21]([H:52]):[C:22]([H:53]):[C:23]2:[C:24]:1[C:25](=[O:26])[C:27]1:[C:28]([H:54]):[C:29]([H:55]):[C:30]([H:56]):[C:31]([Cl:32]):[C:33]:1[C:34]2=[O:35])[H:57])[H:58]