HRID194425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2795190

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran

C14H17BO3

结构：O=C(C1CC1)N1CCC(Cc2n[nH]c(=O)n2-c2c(F)cc(Br)cc2Cl)C1

HCID178519255

未命名化合物

PRODUCTS

生成物

结构：O=C(C1CC1)N1CCC(Cc2n[nH]c(=O)n2-c2c(F)cc(-c3ccc4occc4c3)cc2Cl)C1

HCID78005572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5cb24d5a043446bb5d49c91995ab823
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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