SMIRKS
[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[H:32])[H:33])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([C:14]([C:15]([H:34])([H:35])[H:36])([C:16]([H:37])([H:38])[H:39])[H:40])([H:41])[H:42])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]1:[C:23]([H:43]):[C:24]([H:44]):[C:25]([H:45]):[C:26]([H:46]):[C:27]:1[H:47])([H:48])[H:49])([C:28](=[O:29])[O:30][H:50])[H:51])[H:52])[H:53])[H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])([H:61])[H:62]>>[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:60])([H:61])[H:62])([H:58])[H:59])([H:56])[H:57])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([C:14]([C:15]([H:34])([H:35])[H:36])([C:16]([H:37])([H:38])[H:39])[H:40])([H:41])[H:42])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]1:[C:23]([H:43]):[C:24]([H:44]):[C:25]([H:45]):[C:26]([H:46]):[C:27]:1[H:47])([H:48])[H:49])([C:28](=[O:29])[O:30][H:50])[H:51])[H:52])[H:53])[H:54])[H:55])[H:33].[H]O[C:7](=[O:8])[H:32]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E347 - Reaction Operator E
[#6:4]-[#7:5](-[#6:6](=[#8:7])-[H:9])-[H:10]>>[#6:4]-[#7:5](-[H:10])-[H].[#6:6](=[#8:7])(-[#8]-[H])-[H:9]
EVODEX.1-N86 - Reaction Operator N
[#6:4]-[#6@:5](-[#7:6](-[#6:7](=[#8:8])-[H:32])-[H:33])(-[#6:9])-[H:55]>>[H]-[#7:6](-[#6@@:5](-[#6:4])(-[#6:9])-[H:55])-[H:33].[H]-[#8]-[#6:7](=[#8:8])-[H:32]
EVODEX.1-Em129 - Reaction Operator Em
[#6:5]-[#7:6]-[#6:7]=[#8:8]>>[H]-[#7:6]-[#6:5].[H]-[#8]-[#6:7]=[#8:8]
EVODEX.1-Nm163 - Reaction Operator Nm
[#6:5]-[#7:6]-[#6:7]=[#8:8]>>[H]-[#7:6]-[#6:5].[H]-[#8]-[#6:7]=[#8:8]
Source Full Reactions
EVODEX.1-R6504
[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[H:32])[H:33])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([C:14]([C:15]([H:34])([H:35])[H:36])([C:16]([H:37])([H:38])[H:39])[H:40])([H:41])[H:42])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]1:[C:23]([H:43]):[C:24]([H:44]):[C:25]([H:45]):[C:26]([H:46]):[C:27]:1[H:47])([H:48])[H:49])([C:28](=[O:29])[O:30][H:50])[H:51])[H:52])[H:53])[H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])([H:61])[H:62].[H][O:31][H:63]>>[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:60])([H:61])[H:62])([H:58])[H:59])([H:56])[H:57])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([C:14]([C:15]([H:34])([H:35])[H:36])([C:16]([H:37])([H:38])[H:39])[H:40])([H:41])[H:42])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]1:[C:23]([H:43]):[C:24]([H:44]):[C:25]([H:45]):[C:26]([H:46]):[C:27]:1[H:47])([H:48])[H:49])([C:28](=[O:29])[O:30][H:50])[H:51])[H:52])[H:53])[H:54])[H:55])[H:33].[C:7](=[O:8])([O:31][H:63])[H:32]