4-Methoxycarbonylphenylboronic acid → HCID 21110891, 화합물

반응식

[Br:28][c:29]1[cH:30][c:31]([O:36][CH:37]([CH3:38])[c:39]2[c:40]([Cl:46])[cH:41][cH:42][cH:43][c:44]2[Cl:45])[c:32]([NH2:35])[n:33][cH:34]1.[CH3:47][O:48][C:49]([c:50]1[cH:51][cH:52][c:53]([B:54]([OH:55])[OH:56])[cH:57][cH:58]1)=[O:59].[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16]2)[cH:6][c:7]1[O:17][CH2:18][c:19]1[c:20]([F:21])[cH:22][cH:23][c:24]([F:25])[c:26]1[Cl:27]>>[c:8]1(-[c:29]2[cH:30][c:31]([O:36][CH:37]([CH3:38])[c:39]3[c:40]([Cl:46])[cH:41][cH:42][cH:43][c:44]3[Cl:45])[c:32]([NH2:35])[n:33][cH:34]2)[cH:9][cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16]1

참가 물질

반응물 3

HCID 27343694-Methoxycarbonylphenylboronic acid

HCID 21111446HCID 21111446, 화합물

HCID 211114805-Bromo-3-[1-(2,6-dichlorophenyl)ethoxy]-2-pyridinamine

생성물 1

HCID 21110891HCID 21110891, 화합물

출처 및 근거

ORD 기록: ord-ba993d6a4caf4f5998ccdf7f2e0c4f2d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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