2-Chloroethanol → Chloride

Reaction equation

[CH3:1][n:2]1[n:3][c:4]([CH3:17])[c:5]([N+:14](=[O:15])[O-:16])[c:6]1[NH:7][CH2:8][CH2:9][CH2:10][N:11]([CH3:12])[CH3:13].[CH3:22][CH2:23][O:24][C:25](=[O:26])[CH3:27].[OH:18][CH2:19][CH2:20][Cl:21]>>[CH3:1][n:2]1[n:3][c:4]([CH3:17])[c:5]([N+:14](=[O:15])[O-:16])[c:6]1[NH:7][CH2:8][CH2:9][CH2:10][N+:11]([CH3:12])([CH3:13])[CH2:20][CH2:19][OH:18].[Cl-:21]

Participants

Reactant 3

HCID 342-Chloroethanol

HCID 8857Ethyl Acetate

HCID 2807344HCID 2807344, compound

Product 2

HCID 312Chloride

HCID 17957236HCID 17957236, compound

Sources & evidence

ORD record: ord-1d98be3616734d6580ccf5cdbbc78667
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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