1-(4-Fluorophenyl)-2-oxo-3-pyrrolidinecarboxylic acid → N-(3-fluoro-4-(2-(3-(4-methylpiperazin-1-yl)prop-1-ynyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide

반응식

[F:1][c:2]1[cH:3][c:4]([NH2:28])[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][cH:14]1)[cH:15][c:16]([C:18]#[C:19][CH2:20][N:21]1[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]1)[s:17]2.[F:29][c:30]1[cH:31][cH:32][c:33]([N:36]2[C:37](=[O:44])[CH:38]([C:41](=[O:42])[OH:43])[CH2:39][CH2:40]2)[cH:34][cH:35]1>>[F:1][c:2]1[cH:3][c:4]([NH:28][C:41]([CH:38]2[C:37](=[O:44])[N:36]([c:33]3[cH:32][cH:31][c:30]([F:29])[cH:35][cH:34]3)[CH2:40][CH2:39]2)=[O:42])[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][cH:14]1)[cH:15][c:16]([C:18]#[C:19][CH2:20][N:21]1[CH2:22][CH2:23][N:24]([CH3:27])[CH2:25][CH2:26]1)[s:17]2

참가 물질

반응물 2

HCID 41820071-(4-Fluorophenyl)-2-oxo-3-pyrrolidinecarboxylic acid

HCID 673454993-Fluoro-4-(2-(3-(4-methylpiperazin-1-yl)prop-1-ynyl)thieno[3,2-b]pyridin-7-yloxy)aniline

생성물 1

HCID 24983266N-(3-fluoro-4-(2-(3-(4-methylpiperazin-1-yl)prop-1-ynyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide

출처 및 근거

ORD 기록: ord-eaaa07a82831448fbf6dbd793fcc2380
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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