SMIRKS
[C:1]([S:2][C:3]([C:4]([C@@:5]([O:6][H:60])([C:7](=[O:8])[O:9][H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])([H:68])[H:69]>>[H]C([H])([H])[S+:2]([C:1]([H:67])([H:68])[H:69])[C:3]([C:4]([C@@:5]([O:6][H:60])([C:7](=[O:8])[O:9][H:61])[H:62])([H:63])[H:64])([H:65])[H:66]
Derived Operators
EVODEX.1-M269 - Mass Difference
15.02349
EVODEX.1-E881 - Reaction Operator E
[#6:1]-[#16:2]-[#6:3]>>[#6:1]-[#16:2](-[#6:3])-[#6](-[H])(-[H])-[H]
EVODEX.1-N281 - Reaction Operator N
[#6:1]-[#16:2]-[#6:3]>>[H]-[#6](-[H])(-[H])-[#16:2](-[#6:1])-[#6:3]
EVODEX.1-Em406 - Reaction Operator Em
[#6:1]-[#16:2]-[#6:3]>>[H]-[#6](-[H])(-[H])-[#16:2](-[#6:1])-[#6:3]
EVODEX.1-Nm366 - Reaction Operator Nm
[#6:1]-[#16:2]-[#6:3]>>[H]-[#6](-[H])(-[H])-[#16:2](-[#6:1])-[#6:3]
Source Full Reactions
EVODEX.1-R1614
[C:10]([S+:11]([C:12]([C:13]([C@:14]([N:15]([H:37])[H:38])([C:16](=[O:17])[O:18][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:19]([C@@:20]1([H:45])[O:21][C@:22]([N:23]2:[C:24]([H:46]):[N:25]:[C:26]3:[C:27]([N:28]([H:47])[H:48]):[N:29]:[C:30]([H:49]):[N:31]:[C:32]:2:3)([H:50])[C@@:33]([O:34][H:51])([H:52])[C@@:35]1([O:36][H:53])[H:54])([H:55])[H:56])([H:57])([H:58])[H:59].[C:1]([S:2][C:3]([C:4]([C@@:5]([O:6][H:60])([C:7](=[O:8])[O:9][H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])([H:68])[H:69]>>[C:1]([S+:2]([C:3]([C:4]([C@@:5]([O:6][H:60])([C:7](=[O:8])[O:9][H:61])[H:62])([H:63])[H:64])([H:65])[H:66])[C:10]([H:57])([H:58])[H:59])([H:67])([H:68])[H:69].[S:11]([C:12]([C:13]([C@:14]([N:15]([H:37])[H:38])([C:16](=[O:17])[O:18][H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C:19]([C@@:20]1([H:45])[O:21][C@:22]([N:23]2:[C:24]([H:46]):[N:25]:[C:26]3:[C:27]([N:28]([H:47])[H:48]):[N:29]:[C:30]([H:49]):[N:31]:[C:32]:2:3)([H:50])[C@@:33]([O:34][H:51])([H:52])[C@@:35]1([O:36][H:53])[H:54])([H:55])[H:56]