1,4-Dichlorobutane → 6-(2-Chlorophenyl)-7-(4-trifluoromethylphenyl)-3-ethoxycarbonyl-2-(pyrrolidin-1-yl)pyrazolo[1,5-a]-pyrimidine

반응식

[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][n:10][c:11]3[n:12]([c:13]2-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[n:24][c:25]([NH2:32])[c:26]3[C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:4][cH:5][cH:6][cH:7]1.[Cl:33][CH2:34][CH2:35][CH2:36][CH2:37][Cl:38]>>[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][n:10][c:11]3[n:12]([c:13]2-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[n:24][c:25]([N:32]2[CH2:34][CH2:35][CH2:36][CH2:37]2)[c:26]3[C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:4][cH:5][cH:6][cH:7]1

참가 물질

반응물 2

HCID 80591,4-Dichlorobutane

HCID 672721326-(2-Chlorophenyl)-7-(4-trifluoromethylphenyl)-3-ethoxycarbonyl-2-aminopyrazolo-[1,5-a]pyrimidine

생성물 1

HCID 672727896-(2-Chlorophenyl)-7-(4-trifluoromethylphenyl)-3-ethoxycarbonyl-2-(pyrrolidin-1-yl)pyrazolo[1,5-a]-pyrimidine

출처 및 근거

ORD 기록: ord-40a802fd4a5648f889ff530343608f5e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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