HRID1544280

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：CN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID4712678

N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C15H22BNO3

结构：Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1Br

HCID59206087

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(=O)N(C)C)cc1

HCID59206584

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a249026fdc34999ac80fdd4810894de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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