HRID109987

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID22490042

[2-Methoxy-4-(trifluoromethoxy)phenyl]boronic acid

C8H8BF3O4

结构：Cc1ccc(F)cc1OCc1c(Br)ccc2c1N(C)C(=O)C(C)(C)N2

HCID24781151

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC(F)(F)F)ccc1-c1ccc2c(c1COc1cc(F)ccc1C)N(C)C(=O)C(C)(C)N2

HCID57671904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-597a5d4b15374b748e38365cfae537b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:10]([c:11]1[CH2:12][O:13][c:14]1[c:15]([CH3:21])[cH:16][cH:17][c:18]([F:20])[cH:19]1)[N:9]([CH3:22])[C:8](=[O:23])[C:7]([CH3:24])([CH3:25])[NH:6]2.[CH3:26][O:27][c:28]1[c:29]([B:39]([OH:40])[OH:41])[cH:30][cH:31][c:32]([O:34][C:35]([F:36])([F:37])[F:38])[cH:33]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[OH2:48]>>[c:2]1(-[c:29]2[c:28]([O:27][CH3:26])[cH:33][c:32]([O:34][C:35]([F:36])([F:37])[F:38])[cH:31][cH:30]2)[cH:3][cH:4][c:5]2[c:10]([c:11]1[CH2:12][O:13][c:14]1[c:15]([CH3:21])[cH:16][cH:17][c:18]([F:20])[cH:19]1)[N:9]([CH3:22])[C:8](=[O:23])[C:7]([CH3:24])([CH3:25])[NH:6]2