HRID1119141

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID3301

Ethylenediamine

C2H8N2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID71572

4-Fluorobenzamide

C7H6FNO

结构：COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(Br)cn1

HCID57356904

1-(5-Bromopyrazin-2-yl)-5-methoxy-2-(trifluoromethyl)-1H-benzimidazole

C13H8BrF3N4O

PRODUCTS

生成物

结构：COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccc(F)cc2)cn1

HCID58993844

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee6ccd348542462c9b9f1045493a7141
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[n:3][cH:4][c:5](-[n:8]2[c:9]([C:19]([F:20])([F:21])[F:22])[n:10][c:11]3[c:12]2[cH:13][cH:14][c:15]([O:17][CH3:18])[cH:16]3)[n:6][cH:7]1.[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[Cu:51][I:52].[F:23][c:24]1[cH:25][cH:26][c:27]([C:28](=[O:29])[NH2:30])[cH:31][cH:32]1.[K+:38].[K+:39].[K+:40].[NH2:41][CH2:42][CH2:43][NH2:44].[P:33]([O-:34])([O-:35])([O-:36])=[O:37]>>[c:2]1([NH:30][C:28]([c:27]2[cH:26][cH:25][c:24]([F:23])[cH:32][cH:31]2)=[O:29])[n:3][cH:4][c:5](-[n:8]2[c:9]([C:19]([F:20])([F:21])[F:22])[n:10][c:11]3[c:12]2[cH:13][cH:14][c:15]([O:17][CH3:18])[cH:16]3)[n:6][cH:7]1