HRID136011

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

HCID1277668

5-Iodo-1-methyl-1H-imidazole

C4H5IN2

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(-c3cncn3C)cc12

HCID76167606

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13ca6891fbd04df0851a38981e374f72
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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