Toluene → HCID 178478027, compound
Reaction equation
[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Cl:12][c:13]1[c:14]([CH:15]=[O:16])[cH:17][cH:18][cH:19][cH:20]1.[Cl:1][c:2]1[c:3]([C:4]([NH2:5])=[N:6][OH:7])[cH:8][cH:9][cH:10][cH:11]1.[c:21]1([CH3:22])[cH:23][cH:24][c:25]([S:26]([OH:27])(=[O:28])=[O:29])[cH:30][cH:31]1>>[Cl:1][c:2]1[c:3]([C:4]2=[N:6][O:7][CH:15]([c:14]3[c:13]([Cl:12])[cH:20][cH:19][cH:18][cH:17]3)[NH:5]2)[cH:8][cH:9][cH:10][cH:11]1Participants
5
Sources & evidence
- ORD record
- ord-faed4a892f3341f58992444938475387
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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