Benzene → p-Toluenesulfonic acid
Reaction equation
[CH3:2][CH:3]1[CH2:4][CH:5]([C:9](=[O:10])[OH:11])[NH:6][CH2:7][CH2:8]1.[ClH:1].[OH2:20].[OH2:32].[OH:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[c:21]1([CH3:31])[cH:22][cH:23][c:24]([S:27](=[O:28])(=[O:29])[OH:30])[cH:25][cH:26]1.[cH:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[CH3:2][CH:3]1[CH2:4][CH:5]([C:9](=[O:10])[OH:11])[N:6]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:7][CH2:8]1.[c:21]1([CH3:31])[cH:22][cH:23][c:24]([S:27](=[O:28])(=[O:29])[OH:30])[cH:25][cH:26]1Participants
8
Sources & evidence
- ORD record
- ord-eba1a12f527e4610b2a4fb4807499b68
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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