Water → HCID 53708840, compound

HRID 106119Notes

Reaction equation

HRID 106119 reaction equation
[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH:9]([n:10]2[n:11][cH:12][n:13][cH:14]2)[C:15]2([OH:22])[O:16][CH2:17][CH2:18][C:19]2([CH3:20])[CH3:21])[cH:6][cH:7]1.[OH2:34].[c:23]1([CH3:24])[cH:25][cH:26][c:27]([S:28]([OH:29])(=[O:30])=[O:31])[cH:32][cH:33]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9]([n:10]2[n:11][cH:12][n:13][cH:14]2)=[C:15]2[O:16][CH2:17][CH2:18][C:19]2([CH3:20])[CH3:21])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 13561746HCID 13561746, compound

Product 1

HCID 53708840HCID 53708840, compound

Sources & evidence

ORD record
ord-5489a70eb15d4ef989fdb68fc09c1699
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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