Ethyl Acetate → 2-[2-(3-chlorophenyl)-3-(4-chlorophenyl)-3-hydroxypropyl]-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2-methylpent-4-enamide

HRID 1149806

반응식

HRID 1149806 반응식
[CH2:9]([CH:10]=[CH2:11])[C:12]1([CH3:33])[C:13](=[O:32])[O:14][CH:15]([c:25]2[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]2)[CH:16]([c:18]2[cH:19][c:20]([Cl:24])[cH:21][cH:22][cH:23]2)[CH2:17]1.[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[NH2:1][CH:2]([C:3]([CH3:4])([CH3:5])[CH3:6])[CH2:7][OH:8]>>[NH:1]([CH:2]([C:3]([CH3:4])([CH3:5])[CH3:6])[CH2:7][OH:8])[C:13]([C:12]([CH2:9][CH:10]=[CH2:11])([CH2:17][CH:16]([CH:15]([OH:14])[c:25]1[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]1)[c:18]1[cH:19][c:20]([Cl:24])[cH:21][cH:22][cH:23]1)[CH3:33])=[O:32]

참가 물질

4

반응물 3

HCID 8857Ethyl AcetateHCID 41492122-Amino-3,3-dimethylbutan-1-olHCID 768345633-allyl-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyltetrahydro-2H-pyran-2-one

생성물 1

HCID 773946242-[2-(3-chlorophenyl)-3-(4-chlorophenyl)-3-hydroxypropyl]-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-2-methylpent-4-enamide

출처 및 근거

ORD 기록
ord-cc2e62e302964b53be32652a2e39bd57
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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