HRID2131099

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID104967

Cesium(1+)

Cs+

2 次

HCID2783006

5-(Chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C12H9ClF3NS

HCID69283057

tert-Butyl (3-chloro-6-hydroxy-1H-indol-1-yl)acetate

C14H16ClNO3

PRODUCTS

生成物

结构：Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(Cl)cn(CC(=O)OC(C)(C)C)c2c1

HCID69280392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a9fc7385cf74d2c929f20b3cd46c2ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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