1-Methylpiperazine → N-(3-Ethynyl-5-fluoro-4-methanesulfonylamino-benzyl)-3-[2-(4-methyl-piperazin-1-yl)-6-trifluoromethyl-pyridin-3-yl]-acrylamide

HRID 1218137

반응식

HRID 1218137 반응식
[CH3:32][N:33]1[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1.[Cl:1][c:2]1[n:3][c:4]([C:28]([F:29])([F:30])[F:31])[cH:5][cH:6][c:7]1[CH:8]=[CH:9][C:10](=[O:11])[NH:12][CH2:13][c:14]1[cH:15][c:16]([C:26]#[CH:27])[c:17]([NH:21][S:22](=[O:23])(=[O:24])[CH3:25])[c:18]([F:20])[cH:19]1>>[c:2]1([N:36]2[CH2:35][CH2:34][N:33]([CH3:32])[CH2:38][CH2:37]2)[n:3][c:4]([C:28]([F:29])([F:30])[F:31])[cH:5][cH:6][c:7]1[CH:8]=[CH:9][C:10](=[O:11])[NH:12][CH2:13][c:14]1[cH:15][c:16]([C:26]#[CH:27])[c:17]([NH:21][S:22](=[O:23])(=[O:24])[CH3:25])[c:18]([F:20])[cH:19]1

참가 물질

3

반응물 2

HCID 531671-MethylpiperazineHCID 743823853-(2-Chloro-6-trifluoromethyl-pyridin-3-yl)-N-(3-ethynyl-5-fluoro-4-methanesulfonylamino-benzyl)-acrylamide

생성물 1

HCID 72335646N-(3-Ethynyl-5-fluoro-4-methanesulfonylamino-benzyl)-3-[2-(4-methyl-piperazin-1-yl)-6-trifluoromethyl-pyridin-3-yl]-acrylamide

출처 및 근거

ORD 기록
ord-a61dc46c4eff4953abeb99ebe80a9475
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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