Chloride → Methyl 5-oxo-5-[4-(2-acetaminoethyl)-phenyl]-pentanoate

HRID 142946

반응식

HRID 142946 반응식
[Al+3:25].[C:1]([CH3:2])(=[O:3])[NH:4][CH2:5][CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[CH2:28]([Cl:29])[Cl:30].[CH3:14][O:15][C:16]([CH2:17][CH2:18][CH2:19][C:20](=[O:21])[OH:22])=[O:23].[Cl-:13].[Cl-:24].[Cl-:26].[Cl-:27]>>[C:1]([CH3:2])(=[O:3])[NH:4][CH2:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([C:20]([CH2:19][CH2:18][CH2:17][C:16]([O:15][CH3:14])=[O:23])=[O:21])[cH:11][cH:12]1

참가 물질

6

출처 및 근거

ORD 기록
ord-fe032ae5db354bf196dbda2fb4038917
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…