Toluene → 2-(3-Chloro-phenyl)-propane-1,2-diamine

반응식

[CH3:13][CH:14]([CH2:15][AlH:16][CH2:17][CH:18]([CH3:19])[CH3:20])[CH3:21].[CH3:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[NH2:1][C:2]([C:3]#[N:4])([CH3:5])[c:6]1[cH:7][c:8]([Cl:12])[cH:9][cH:10][cH:11]1>>[NH2:1][C:2]([CH2:3][NH2:4])([CH3:5])[c:6]1[cH:7][c:8]([Cl:12])[cH:9][cH:10][cH:11]1

참가 물질

반응물 3

HCID 1140Toluene

HCID 14487Diisobutylaluminum hydride

HCID 167840712-Amino-2-(3-chloro-phenyl)-propionitrile

생성물 1

HCID 574956392-(3-Chloro-phenyl)-propane-1,2-diamine

출처 및 근거

ORD 기록: ord-df07d8eefccf4be4bdb8c15aadcbdf4a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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