p-Toluenesulfonic acid → p-Toluenesulfonic acid

HRID 166770Notes

Reaction equation

HRID 166770 reaction equation
[NH2:12][CH2:13][c:14]1[c:15]([CH2:43][CH:44]([CH3:45])[CH3:46])[n:16][c:17]2[cH:18][cH:19][c:20]([O:31][CH2:32][CH2:33][O:34][CH2:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[cH:21][c:22]2[c:23]1-[c:24]1[cH:25][cH:26][c:27]([CH3:30])[cH:28][cH:29]1.[OH:47][C:48]([C:49]([F:50])([F:51])[F:52])=[O:53].[c:1]1([CH3:11])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[OH:10])[cH:5][cH:6]1>>[NH2:12][CH2:13][c:14]1[c:15]([CH2:43][CH:44]([CH3:45])[CH3:46])[n:16][c:17]2[cH:18][cH:19][c:20]([O:31][CH2:32][CH2:33][O:34][CH2:35][C:36](=[O:37])[OH:38])[cH:21][c:22]2[c:23]1-[c:24]1[cH:25][cH:26][c:27]([CH3:30])[cH:28][cH:29]1.[c:1]1([CH3:11])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[OH:10])[cH:5][cH:6]1

Participants

5

Sources & evidence

ORD record
ord-6171554e51cb43a284b597600b2d4003
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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