Ethanol → 3-Chloro-4-pyrrolidinobenzoic acid

HRID 168654Notes

Reaction equation

[CH3:20][CH2:21][OH:22].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[cH:10][cH:11][c:12]1[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1.[Na+:19].[OH-:18]>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:10][cH:11][c:12]1[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1

Participants

Reactant 4

HCID 702Ethanol

HCID 923Sodium ion

HCID 961Hydroxide

HCID 59316744Ethyl 3-chloro-4-(pyrrolidin-1-yl)benzoate

Product 1

HCID 47693833-Chloro-4-pyrrolidinobenzoic acid

Sources & evidence

ORD record: ord-706e919f059d4a31954a55317e25d388
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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