Water → N-(2-azepan-1-ylethyl)-N-{4-[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amine

HRID 937765

반응식

HRID 937765 반응식
[CH3:11][S:12](=[O:13])(=[O:14])[c:15]1[n:16][cH:17][cH:18][c:19](-[c:21]2[c:22](-[c:34]3[cH:35][c:36]([Cl:40])[cH:37][cH:38][cH:39]3)[n:23][n:24]3[c:25]2[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]3)[n:20]1.[N:1]1([CH2:8][CH2:9][NH2:10])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[OH2:41]>>[N:1]1([CH2:8][CH2:9][NH:10][c:15]2[n:16][cH:17][cH:18][c:19](-[c:21]3[c:22](-[c:34]4[cH:35][c:36]([Cl:40])[cH:37][cH:38][cH:39]4)[n:23][n:24]4[c:25]3[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]4)[n:20]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1

참가 물질

4

반응물 3

HCID 962WaterHCID 40002Hexahydro-1H-azepine-1-ethanamineHCID 179623804-[2-(3-Chlorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl methyl sulfone

생성물 1

HCID 10207930N-(2-azepan-1-ylethyl)-N-{4-[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amine

출처 및 근거

ORD 기록
ord-704cac1a26954bb3aa4c1d23c239c549
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D

연결된 노트

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