SMIRKS
[C:1]([C:2]([C@:3]([C:4]([H:29])([H:30])[H:31])([C@:5]([N:6]([C:7](=[O:8])[C:9]([C:10]([N:11]([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:38])([C:12](=[O:13])[N:14]([C@:15]([C:16]([C:17](=[O:18])[O:19][H:39])([H:40])[H:41])([C:20]([C:21]1:[C:22]([H:42]):[C:23]([H:43]):[C:24]([O:25][H:44]):[C:26]([H:45]):[C:27]:1[H:46])([H:47])[H:48])[H:49])[H:50])[H:51])[H:52])([H:53])[H:54])([H:55])([H:56])[H:57]>>[H]O[C:7](=[O:8])[C:9]([C:10]([N:11]([H:32])[H:33])([H:34])[H:35])([H:36])[H:37].[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:55])([H:56])[H:57])([H:53])[H:54])([C:4]([H:29])([H:30])[H:31])[H:52])([C:12](=[O:13])[N:14]([C@:15]([C:16]([C:17](=[O:18])[O:19][H:39])([H:40])[H:41])([C:20]([C:21]1:[C:22]([H:42]):[C:23]([H:43]):[C:24]([O:25][H:44]):[C:26]([H:45]):[C:27]:1[H:46])([H:47])[H:48])[H:49])[H:50])[H:51])[H:38]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E356 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#7:5](-[#6@:6])-[H:78]>>[#6:2]-[#6:3](=[#8:4])-[#8]-[H].[#7:5](-[#6@:6])(-[H:78])-[H]
EVODEX.1-N1254 - Reaction Operator N
[#6:4]-[#6@:5](-[#7:6](-[#6:7](=[#8:8])-[#6:9])-[H:25])(-[#6:16])-[H:27]>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9].[H]-[#7:6](-[#6@@:5](-[#6:4])(-[#6:16])-[H:27])-[H:25]
EVODEX.1-Em50 - Reaction Operator Em
[#6:7]-[#7:8]-[#6:9](-[#6:10])=[#8:11]>>[H]-[#8]-[#6:9](-[#6:10])=[#8:11].[H]-[#7:8]-[#6:7]
EVODEX.1-Nm48 - Reaction Operator Nm
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#6:9]>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9].[H]-[#7:6]-[#6:5]
Source Full Reactions
EVODEX.1-R5540
[C:1]([C:2]([C@:3]([C:4]([H:29])([H:30])[H:31])([C@:5]([N:6]([C:7](=[O:8])[C:9]([C:10]([N:11]([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:38])([C:12](=[O:13])[N:14]([C@:15]([C:16]([C:17](=[O:18])[O:19][H:39])([H:40])[H:41])([C:20]([C:21]1:[C:22]([H:42]):[C:23]([H:43]):[C:24]([O:25][H:44]):[C:26]([H:45]):[C:27]:1[H:46])([H:47])[H:48])[H:49])[H:50])[H:51])[H:52])([H:53])[H:54])([H:55])([H:56])[H:57].[H][O:28][H:58]>>[C:7](=[O:8])([C:9]([C:10]([N:11]([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[O:28][H:58].[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:55])([H:56])[H:57])([H:53])[H:54])([C:4]([H:29])([H:30])[H:31])[H:52])([C:12](=[O:13])[N:14]([C@:15]([C:16]([C:17](=[O:18])[O:19][H:39])([H:40])[H:41])([C:20]([C:21]1:[C:22]([H:42]):[C:23]([H:43]):[C:24]([O:25][H:44]):[C:26]([H:45]):[C:27]:1[H:46])([H:47])[H:48])[H:49])[H:50])[H:51])[H:38]