HRID99829

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID7204879

5-bromo-1,2-dimethyl-1H-imidazole

C5H7BrN2

结构：COc1ccc(F)c(Cl)c1C(C)c1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12

HCID178491821

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(F)c(Cl)c1C(C)c1c[nH]c2ncc(-c3cnc(C)n3C)cc12

HCID76167604

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d072a53989d54b0383d824d8b2b70a0f
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][n:4][c:5]([CH3:8])[n:6]1[CH3:7].[C:39](=[O:40])([O-:41])[O-:42].[Cl:45][CH2:46][Cl:47].[Cl:9][c:10]1[c:11]([CH:19]([CH3:20])[c:21]2[cH:22][nH:23][c:24]3[n:25][cH:26][c:27]([B:30]4[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]4)[cH:28][c:29]23)[c:12]([O:17][CH3:18])[cH:13][cH:14][c:15]1[F:16].[K+:43].[K+:44].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1>>[c:2]1(-[c:27]2[cH:26][n:25][c:24]3[nH:23][cH:22][c:21]([CH:19]([c:11]4[c:10]([Cl:9])[c:15]([F:16])[cH:14][cH:13][c:12]4[O:17][CH3:18])[CH3:20])[c:29]3[cH:28]2)[cH:3][n:4][c:5]([CH3:8])[n:6]1[CH3:7]