HRID165807

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID947

Nitrogen

HCID31275

1,4-Dioxane

C4H8O2

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

结构：Cc1c(Cl)nnc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)c1C

HCID58486430

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccc(F)cc2)nnc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)c1C

HCID58486414

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcd458b9437b469e9081f03d5832af0d
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

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