Toluene → 3,4-Dichloro-alpha-(cyclopentylmethyl)-N-[(methylamino)carbonyl]-benzeneacetamide

반응식

[CH3:19][N:20]=[C:21]=[O:22].[CH3:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH2:10])[c:11]2[cH:12][c:13]([Cl:18])[c:14]([Cl:17])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:10][C:21]([NH:20][CH3:19])=[O:22])[c:11]2[cH:12][c:13]([Cl:18])[c:14]([Cl:17])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

참가 물질

반응물 3

HCID 1140Toluene

HCID 12228Methyl Isocyanate

HCID 186266403-Cyclopentyl-2-(3,4-dichloro-phenyl)-propionamide

생성물 1

HCID 27626983,4-Dichloro-alpha-(cyclopentylmethyl)-N-[(methylamino)carbonyl]-benzeneacetamide

출처 및 근거

ORD 기록: ord-5ed599b3dd29471cb07283e361c41a25
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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