Phenylboronic Acid → 3-phenyl-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepine

반응식

[OH:37][B:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[OH:45].[n:1]1[cH:2][c:3](-[c:19]2[cH:20][cH:21][c:22]([C:25]3([NH:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:34][CH2:35][CH2:36]3)[cH:23][cH:24]2)[n:4]2[c:10]1-[c:9]1[c:8]([cH:14][cH:13][cH:12][cH:11]1)[NH:7][c:6]1[c:5]-2[cH:18][cH:17][cH:16][n:15]1>>[n:1]1[cH:2][c:3](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[n:4]2[c:10]1-[c:9]1[c:8]([cH:14][cH:13][cH:12][cH:11]1)[NH:7][c:6]1[c:5]-2[cH:18][cH:17][cH:16][n:15]1

참가 물질

반응물 2

HCID 66827Phenylboronic Acid

HCID 69087639tert-butyl {1-[4-(9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl)phenyl]cyclobutyl}carbamate

생성물 1

HCID 675034233-phenyl-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepine

출처 및 근거

ORD 기록: ord-4c52ba19165049b2a58f3c39500fe251
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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