HRID683487

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID107604

Methyl 4-bromobutyrate

C5H9BrO2

HCID166653

Hydride

H-

结构：O=S(=O)(Nc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1)c1ccc(Cl)cc1

HCID21938028

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCCN(c1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1

HCID67364031

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6b3b11fb78e49d094ba55046dbb549d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:35][O:36][C:37]([CH2:38][CH2:39][CH2:40][Br:41])=[O:42].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[cH:13][c:14]3[c:15]([n:16](-[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[c:17](-[c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[n:18]3)[cH:31][cH:32]2)[cH:6][cH:7]1.[H-:33].[Na+:34].[OH2:43]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([c:12]2[cH:13][c:14]3[c:15]([n:16](-[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[c:17](-[c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[n:18]3)[cH:31][cH:32]2)[CH2:40][CH2:39][CH2:38][C:37]([O:36][CH3:35])=[O:42])[cH:6][cH:7]1