HRID671922

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID7520

Benzene, (methylthio)-

C7H8S

HCID19660

Carbonate

CO3-2

HCID61668

Boronic acid

H3BO2

结构：FC(F)(F)c1nc(Cl)c(-c2ccccc2)c(-c2ccccc2)n1

HCID10404680

4-chloro-5,6-diphenyl-2-(trifluoromethyl)pyrimidine

C17H10ClF3N2

PRODUCTS

生成物

结构：CSc1ccc(-c2nc(C(F)(F)F)nc(-c3ccccc3)c2-c2ccccc2)cc1

HCID24957545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f8822a2272d455b929802ae3a3e371f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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