Ethanol → Ethyl (4-isopropylbenzylthio)acetate

HRID 664644

Reaction equation

[Br:16][CH2:17][c:18]1[cH:19][cH:20][c:21]([CH:24]([CH3:25])[CH3:26])[cH:22][cH:23]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][S:7][CH2:8][C:9](=[O:10])[O:11][CH2:12][CH3:13])[cH:14][cH:15]1.[CH3:34][CH2:35][OH:36].[SH:27][CH2:28][C:29]([O:30][CH2:31][CH3:32])=[O:33]>>[S:7]([CH2:8][C:9](=[O:10])[O:11][CH2:12][CH3:13])[CH2:17][c:18]1[cH:19][cH:20][c:21]([CH:24]([CH3:25])[CH3:26])[cH:22][cH:23]1

Participants

Reactant 4

HCID 702Ethanol

HCID 12185Ethyl Thioglycolate

HCID 477191-(Bromomethyl)-4-(propan-2-yl)benzene

HCID 4107274Ethyl (4-methylbenzylthio)acetate

Product 1

HCID 54329641Ethyl (4-isopropylbenzylthio)acetate

Sources & evidence

ORD record: ord-62c3e47768ae4157a96f7cfef21857f0
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Linked notes

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