Chloride → 5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid azepan-1-ylamide

반응식

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

참가 물질

반응물 3

HCID 312Chloride

HCID 221981-Aminohomopiperidine

HCID 237301153-(4-Bromophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylic acid

생성물 1

HCID 247585645-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid azepan-1-ylamide

출처 및 근거

ORD 기록: ord-cc459d6de0cb4ad395c6988662462fcf
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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