HRID665975

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID674

Dimethylamine

C2H7N

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CC(C)N1CC2N(C(=O)C(N)CN2S(=O)(=O)c2ccc(Cl)cc2Cl)C(Cc2ccc(Cl)cc2)C1=O

HCID59134252

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CC2N(C(=O)C(NS(C)(=O)=O)CN2S(=O)(=O)c2ccc(Cl)cc2Cl)C(Cc2ccc(Cl)cc2)C1=O

HCID9874135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ed0b18f7a4e41639038a406ca7af72c
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

[BrH:1].[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:44][S:45]([Cl:46])(=[O:47])=[O:48].[CH3:49][NH:50][CH3:51].[Cl:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][CH:8]2[C:9](=[O:34])[N:10]([CH:31]([CH3:32])[CH3:33])[CH2:11][CH:12]3[N:13]2[C:14](=[O:30])[CH:15]([NH2:29])[CH2:16][N:17]3[S:18](=[O:19])(=[O:20])[c:21]2[c:22]([Cl:28])[cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[cH:35][cH:36]1.[Cl:52][CH2:53][Cl:54]>>[Cl:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][CH:8]2[C:9](=[O:34])[N:10]([CH:31]([CH3:32])[CH3:33])[CH2:11][CH:12]3[N:13]2[C:14](=[O:30])[CH:15]([NH:29][S:45]([CH3:44])(=[O:47])=[O:48])[CH2:16][N:17]3[S:18](=[O:19])(=[O:20])[c:21]2[c:22]([Cl:28])[cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[cH:35][cH:36]1