HRID2324686

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8083

Morpholine

C4H9NO

结构：Cc1ccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(Br)c(F)c2)cn1

HCID59788573

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(N3CCOCC3)c(F)c2)cn1

HCID11191026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e10c4ea1ab9a48fba36eed251d2a9bde
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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