p-Toluenesulfonic acid → HCID 86637353, compound
Reaction equation
[CH3:27][c:28]1[cH:29][cH:30][c:31]([S:32]([OH:33])(=[O:34])=[O:35])[cH:36][cH:37]1.[CH:17]([O:18][CH2:19][CH3:20])([O:21][CH2:22][CH3:23])[O:24][CH2:25][CH3:26].[Cl:1][c:2]1[n:3][cH:4][c:5]2[nH:6][c:7](=[O:16])[n:8]([CH:11]([CH2:12][CH3:13])[CH2:14][CH3:15])[c:9]2[n:10]1.[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[Cl:1][c:2]1[n:3][cH:4][c:5]2[n:6][cH:7][n:8]([CH:11]([CH2:12][CH3:13])[CH2:14][CH3:15])[c:9]2[n:10]1Participants
5
Sources & evidence
- ORD record
- ord-40bcf040600a48f78fcc06a373dcf69d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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