1-Chloro-2-[(2-chloroethyl)oxy]-4-nitrobenzene → N-(3-{3-[2-({4-Chloro-3-[(2-chloroethyl)oxy]phenyl}amino)-4-pyrimidinyl]pyrazolo[1,5-a]pyridin-2-yl}phenyl)-2,2,2-trifluoroacetamide

반응식

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

참가 물질

반응물 2

HCID 177561821-Chloro-2-[(2-chloroethyl)oxy]-4-nitrobenzene

HCID 59513717N-{3-[3-(2-chloro-4-pyrimidinyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl}-2,2,2-trifluoroacetamide

생성물 1

HCID 57737180N-(3-{3-[2-({4-Chloro-3-[(2-chloroethyl)oxy]phenyl}amino)-4-pyrimidinyl]pyrazolo[1,5-a]pyridin-2-yl}phenyl)-2,2,2-trifluoroacetamide

출처 및 근거

ORD 기록: ord-9746e9beeb79492287fa6d25e1e2a195
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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