Pyridine → N-[3-(4-chloro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide

반응식

[Cl:12][c:13]1[c:14]([CH3:31])[cH:15][c:16](-[c:19]2[c:20]([NH2:30])[n:21][n:22]3[c:23]2[n:24][c:25]([CH3:29])[cH:26][c:27]3[CH3:28])[cH:17][cH:18]1.[c:1]1([CH2:7][CH2:8][C:9](=[O:10])[Cl:11])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:32]1[cH:33][cH:34][n:35][cH:36][cH:37]1>>[c:1]1([CH2:7][CH2:8][C:9](=[O:10])[NH:30][c:20]2[c:19](-[c:16]3[cH:15][c:14]([CH3:31])[c:13]([Cl:12])[cH:18][cH:17]3)[c:23]3[n:22]([n:21]2)[c:27]([CH3:28])[cH:26][c:25]([CH3:29])[n:24]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

반응물 3

HCID 1049Pyridine

HCID 64801Benzenepropanoyl chloride

HCID 687470433-(4-Chloro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine

생성물 1

HCID 68751193N-[3-(4-chloro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide

출처 및 근거

ORD 기록: ord-8a177cd2da1343e0a32c46c4cc54dfd2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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