Toluene → HCID 13334851, compound
Reaction equation
[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cl:1][c:2]1[c:3]([O:4][c:5]2[cH:6][cH:7][c:8]([N+:14](=[O:15])[O-:16])[c:9]([C:10](=[O:11])[OH:12])[cH:13]2)[cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]1.[c:25]1([CH3:37])[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[N:34]=[C:35]=[O:36])[cH:29][cH:30]1>>[Cl:1][c:2]1[c:3]([O:4][c:5]2[cH:6][cH:7][c:8]([N+:14](=[O:15])[O-:16])[c:9]([C:10](=[O:12])[NH:34][S:31]([c:28]3[cH:27][cH:26][c:25]([CH3:37])[cH:30][cH:29]3)(=[O:32])=[O:33])[cH:13]2)[cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]1Participants
4
Sources & evidence
- ORD record
- ord-b748a601b5b24630bd690a47d75848f6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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