Water → HCID 70106891, compound

HRID 2135074Notes

Reaction equation

HRID 2135074 reaction equation
[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[OH2:31].[OH:1][CH:2]([CH2:3][CH2:4][c:5]1[n:6][c:7](-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[o:8][c:9]1[CH3:10])[c:17]1[cH:18][cH:19][c:20]([CH2:21][CH:22]2[C:23](=[O:28])[NH:24][C:25](=[O:27])[O:26]2)[cH:29][cH:30]1.[c:32]1([CH3:33])[cH:34][cH:35][c:36]([S:37]([OH:38])(=[O:39])=[O:40])[cH:41][cH:42]1>>[CH:2](=[CH:3][CH2:4][c:5]1[n:6][c:7](-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[o:8][c:9]1[CH3:10])[c:17]1[cH:18][cH:19][c:20]([CH2:21][CH:22]2[C:23](=[O:28])[NH:24][C:25](=[O:27])[O:26]2)[cH:29][cH:30]1

Participants

5

Reactant 4

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 70107262HCID 70107262, compound

Product 1

HCID 70106891HCID 70106891, compound

Sources & evidence

ORD record
ord-a843832faa62445e8a2c20fe6285822c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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