HCID 22354399, 화합물 → N-(3-fluoro-4-(2-(3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

반응식

[CH3:35][N:36]1[CH2:37][CH2:38][N:39]([C:42]([CH3:43])([C:44]#[CH:45])[CH3:46])[CH2:40][CH2:41]1.[F:1][c:2]1[cH:3][c:4]([N:19]([C:20](=[O:21])[C:22]2([C:25](=[O:26])[NH2:27])[CH2:23][CH2:24]2)[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[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]([I:18])[s:17]2>>[F:1][c:2]1[cH:3][c:4]([N:19]([C:20](=[O:21])[C:22]2([C:25](=[O:26])[NH2:27])[CH2:23][CH2:24]2)[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[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:45]#[C:44][C:42]([N:39]1[CH2:38][CH2:37][N:36]([CH3:35])[CH2:41][CH2:40]1)([CH3:43])[CH3:46])[s:17]2

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반응물 2

HCID 22354399HCID 22354399, 화합물

HCID 67347909N-(3-fluoro-4-(2-iodothieno[3,2-b]pyridin-7-yloxy)phenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

생성물 1

HCID 67349022N-(3-fluoro-4-(2-(3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

출처 및 근거

ORD 기록: ord-adbe7de581944e66bb86711ca99c82cc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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