Phenylboronic Acid → 3-Methyl-1-{3-methyl-1-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-1H-pyrazol-4-yl}-8-phenyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-one

반응식

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

참가 물질

반응물 2

HCID 66827Phenylboronic Acid

HCID 596197298-bromo-3-methyl-1-{3-methyl-1-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-1H-pyrazol-4-yl}-1,3-dihydro-imidazo[4,5-c]quinolin-2-one

생성물 1

HCID 596196743-Methyl-1-{3-methyl-1-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-1H-pyrazol-4-yl}-8-phenyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-one

출처 및 근거

ORD 기록: ord-6f4f15d2f2824f23863c40b7dfef4016
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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