SMIRKS
[H]C([H])([H])[S+:6]([C:2]([C:1]([H:49])([H:50])[H:51])([C:3](=[O:4])[O:5][H:41])[H:48])[C:8]([H:45])([H:46])[H:47]>>[C:1]([C:2]([C:3](=[O:4])[O:5][H:41])([S:6][C:8]([H:45])([H:46])[H:47])[H:48])([H:49])([H:50])[H:51]
Derived Operators
EVODEX.1-M270 - Mass Difference
-15.02349
EVODEX.1-E882 - Reaction Operator E
[#6](-[#16:2](-[#6:3])-[#6:10])(-[H])(-[H])-[H]>>[#16:2](-[#6:3])-[#6:10]
EVODEX.1-N268 - Reaction Operator N
[H]-[#6](-[H])(-[H])-[#16:2](-[#6:3])-[#6:10]>>[#16:2](-[#6:3])-[#6:10]
EVODEX.1-Em390 - Reaction Operator Em
[H]-[#6](-[H])(-[H])-[#16:2](-[#6:3])-[#6:10]>>[#16:2](-[#6:3])-[#6:10]
EVODEX.1-Nm350 - Reaction Operator Nm
[H]-[#6](-[H])(-[H])-[#16:2](-[#6:3])-[#6:10]>>[#16:2](-[#6:3])-[#6:10]
Source Full Reactions
EVODEX.1-R1487
[C:1]([C:2]([C:3](=[O:4])[O:5][H:41])([S+:6]([C:7]([H:42])([H:43])[H:44])[C:8]([H:45])([H:46])[H:47])[H:48])([H:49])([H:50])[H:51].[H][N:17]1[C:13]2:[C:12](:[N:11]([H:52]):[C:10](=[N:9][H:74]):[N:16]([H:53]):[C:14]:2=[O:15])[N:40]([H:73])[C:39]([H:71])([H:72])[C@@:18]1([C:19]([N:20]([C:21]1:[C:22]([H:55]):[C:23]([H:56]):[C:24]([C:25](=[O:26])[N:27]([C@@:28]([C:29]([C:30]([C:31](=[O:32])[O:33][H:57])([H:58])[H:59])([H:60])[H:61])([C:34](=[O:35])[O:36][H:62])[H:63])[H:64]):[C:37]([H:65]):[C:38]:1[H:66])[H:67])([H:68])[H:69])[H:70]>>[C:1]([C:2]([C:3](=[O:4])[O:5][H:41])([S:6][C:8]([H:45])([H:46])[H:47])[H:48])([H:49])([H:50])[H:51].[C:7]([N:17]1[C:13]2:[C:12](:[N:11]([H:52]):[C:10](=[N:9][H:74]):[N:16]([H:53]):[C:14]:2=[O:15])[N:40]([H:73])[C:39]([H:71])([H:72])[C@@:18]1([C:19]([N:20]([C:21]1:[C:22]([H:55]):[C:23]([H:56]):[C:24]([C:25](=[O:26])[N:27]([C@@:28]([C:29]([C:30]([C:31](=[O:32])[O:33][H:57])([H:58])[H:59])([H:60])[H:61])([C:34](=[O:35])[O:36][H:62])[H:63])[H:64]):[C:37]([H:65]):[C:38]:1[H:66])[H:67])([H:68])[H:69])[H:70])([H:42])([H:43])[H:44].[HH]