Acetyl chloride → HCID 73021912, 화합물

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[CH3:40][C:41]([Cl:42])=[O:43].[CH:31]([N:32]([CH:33]([CH3:34])[CH3:35])[CH2:36][CH3:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[cH:3][c:4]([F:30])[c:5]([NH:8][CH:9]2[CH2:10][CH:11]([CH3:29])[N:12]([C:19]([c:20]3[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]3)=[O:28])[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]32)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][c:4]([F:30])[c:5]([N:8]([CH:9]2[CH2:10][CH:11]([CH3:29])[N:12]([C:19]([c:20]3[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]3)=[O:28])[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]32)[C:41]([CH3:40])=[O:43])[cH:6][cH:7]1

참가 물질

반응물 3

HCID 6367Acetyl chloride

HCID 81531Diisopropylethylamine

HCID 77551680[4-(4-chloro-2-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxyphenyl)methanone

생성물 1

HCID 73021912HCID 73021912, 화합물

출처 및 근거

ORD 기록: ord-c272e9e878e84d4bbbdc32ac4ad3d5b6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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