4-(3-Ethoxy-3-oxoprop-1-enyl)phenylboronic acid → HCID 68583042, 화합물

반응식

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8](-[c:20]3[cH:21][cH:22][c:23]([N:26]4[CH2:27][C:28](=[O:33])[NH:29][S:30]4(=[O:31])=[O:32])[cH:24][cH:25]3)[cH:9][c:10](-[c:12]3[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][cH:17]3)[n:11]2)[cH:34][cH:35]1.[CH2:36]([CH3:37])[O:38][C:39](=[O:40])[CH:41]=[CH:42][c:43]1[cH:44][cH:45][c:46]([B:49]([OH:50])[OH:51])[cH:47][cH:48]1>>[c:2]1(-[c:46]2[cH:45][cH:44][c:43]([CH:42]=[CH:41][C:39]([O:38][CH2:36][CH3:37])=[O:40])[cH:48][cH:47]2)[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8](-[c:20]3[cH:21][cH:22][c:23]([N:26]4[CH2:27][C:28](=[O:33])[NH:29][S:30]4(=[O:31])=[O:32])[cH:24][cH:25]3)[cH:9][c:10](-[c:12]3[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][cH:17]3)[n:11]2)[cH:34][cH:35]1

참가 물질

반응물 2

HCID 38666034-(3-Ethoxy-3-oxoprop-1-enyl)phenylboronic acid

HCID 593054905-{4-[2-(4-Bromo-benzyl)-4-(2,4-dichloro-phenyl)-imidazol-1-yl]-phenyl}-1,2,5-thiadiazolidine-3-one-1,1-dioxide

생성물 1

HCID 68583042HCID 68583042, 화합물

출처 및 근거

ORD 기록: ord-f0ee070b3cb84e36ab8cab44c5d3ab94
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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