Water → 3-Tert-butylphenyl ethanesulfonate

HRID 170232

Reaction equation

HRID 170232 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([OH:11])[cH:8][cH:9][cH:10]1.[CH2:19]([CH3:20])[S:21](=[O:22])(=[O:23])[Cl:24].[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[OH2:32]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:11][S:21]([CH2:19][CH3:20])(=[O:22])=[O:23])[cH:8][cH:9][cH:10]1

Participants

6

Reactant 5

HCID 962WaterHCID 1140TolueneHCID 8471TriethylamineHCID 11450Phenol, 3-(1,1-dimethylethyl)-HCID 11667Ethanesulfonyl chloride

Product 1

HCID 866395053-Tert-butylphenyl ethanesulfonate

Sources & evidence

ORD record
ord-24577bd2a4d94a5ca8f6b8ae2f337de2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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