5-Fluoro-6-(4-fluoro-benzylamino)-1,3-dihydro-indol-2-one → 2-[5-Fluoro-6-(4-fluoro-benzylamino)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-3-(4-fluoro-phenyl)-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one

반응식

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

참가 물질

반응물 2

HCID 592500565-Fluoro-6-(4-fluoro-benzylamino)-1,3-dihydro-indol-2-one

HCID 866376833-(4-fluoro-phenyl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde

생성물 1

HCID 666071812-[5-Fluoro-6-(4-fluoro-benzylamino)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-3-(4-fluoro-phenyl)-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one

출처 및 근거

ORD 기록: ord-610206596be947be98885ef140ff5750
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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