Acetone → Atenolol

반응식

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

참가 물질

반응물 3

HCID 180Acetone

HCID 2249Atenolol

HCID 7470P-Toluic Acid

생성물 2

HCID 2249Atenolol

HCID 1543424-Methylbenzoate

출처 및 근거

ORD 기록: ord-1e8ce590ec344995a1d383c453f77a52
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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