5-Chloro-1H-indole-2-carboxylic acid → 5-Chloro-N-{1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-1H-indole-2-carboxamide

반응식

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

참가 물질

반응물 2

HCID 826935-Chloro-1H-indole-2-carboxylic acid

HCID 219068303-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2(1H)-one

생성물 1

HCID 102386835-Chloro-N-{1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-1H-indole-2-carboxamide

출처 및 근거

ORD 기록: ord-7dc185a77434417695bf41d9e21a9ff8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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