Ethanol → 4-Chloro-2-methylbenzeneacetonitrile

반응식

[C-:11]#[N:12].[CH3:14][CH2:15][OH:16].[Cl:1][c:2]1[cH:3][c:4]([CH3:10])[c:5]([CH2:6][Cl:7])[cH:8][cH:9]1.[K+:13]>>[Cl:1][c:2]1[cH:3][c:4]([CH3:10])[c:5]([CH2:6][C:11]#[N:12])[cH:8][cH:9]1

참가 물질

반응물 4

HCID 702Ethanol

HCID 813Potassium Cation

HCID 5975Cyanide

HCID 128226184-Chloro-1-(chloromethyl)-2-methylbenzene

생성물 1

HCID 184099344-Chloro-2-methylbenzeneacetonitrile

출처 및 근거

ORD 기록: ord-5ae2bdfc06c648beb86fbc2965729ead
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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