Benzene → 4-methyl-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide

HRID 165013

반응식

HRID 165013 반응식
[CH3:24][CH2:25][O:26][C:27](=[O:28])[CH3:29].[Cl:11][C:12]([CH:13]([OH:14])[OH:15])([Cl:16])[Cl:17].[c:1]1([CH3:10])[cH:2][cH:3][c:4]([C:7](=[O:8])[NH2:9])[cH:5][cH:6]1.[cH:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1>>[c:1]1([CH3:10])[cH:2][cH:3][c:4]([C:7](=[O:8])[NH:9][CH:13]([C:12]([Cl:11])([Cl:16])[Cl:17])[OH:14])[cH:5][cH:6]1

참가 물질

5

출처 및 근거

ORD 기록
ord-e9e37d03c01744f6a1726d03ffbabae7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…