Water → HCID 67707055, compound

HRID 2313719Notes

Reaction equation

HRID 2313719 reaction equation
[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[OH2:32].[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]([CH2:23][CH2:24][CH:25]2[C:26](=[O:31])[NH:27][C:28](=[O:30])[O:29]2)[cH:21][cH:22]1.[c:33]1([CH3:34])[cH:35][cH:36][c:37]([S:38]([OH:39])(=[O:40])=[O:41])[cH:42][cH:43]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]([CH2:23][CH2:24][CH:25]2[C:26](=[O:31])[NH:27][C:28](=[O:30])[O:29]2)[cH:21][cH:22]1

Participants

5

Reactant 4

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 70109253HCID 70109253, compound

Product 1

HCID 67707055HCID 67707055, compound

Sources & evidence

ORD record
ord-7b813124daed4dcda58394e99062714f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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