HRID1122089

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

HCID10422

Azetidine

C3H7N

结构：O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Br)cc1

HCID10072530

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2CCC2)cc1

HCID59788572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb2d8d8360104a6a99c83a66090a4b20
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[cH:3][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][cH:23][n:24][cH:25][cH:26]3)[cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[cH:6][cH:7]1.[CH2:35]1[CH2:36][NH:37][CH2:38]1.[K+:32].[K+:33].[K+:34].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[P:27]([O-:28])([O-:29])([O-:30])=[O:31]>>[c:2]1([N:37]2[CH2:36][CH2:35][CH2:38]2)[cH:3][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][cH:23][n:24][cH:25][cH:26]3)[cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[cH:6][cH:7]1