Carbonic Acid → 5-[4-[2-[(3-Chloro-beta-hydroxyphenethyl)amino]propyloxy]phenyl]-3,4-dihydro-6-methyl-2(1H)-pyridinone

반응식

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

참가 물질

반응물 3

HCID 767Carbonic Acid

HCID 37516012-Amino-1-(3-chlorophenyl)ethan-1-ol

HCID 198745663,4-dihydro-5-(4-acetonyloxyphenyl) 6-methyl-2(1H)-pyridinone

생성물 1

HCID 198745585-[4-[2-[(3-Chloro-beta-hydroxyphenethyl)amino]propyloxy]phenyl]-3,4-dihydro-6-methyl-2(1H)-pyridinone

출처 및 근거

ORD 기록: ord-4fa25f3e415d4b66b6f261352e53b5cd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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