HRID157928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID15385

(2-Chloroethyl)sulphonyl chloride

C2H4Cl2O2S

HCID81531

Diisopropylethylamine

C8H19N

结构：NC(C(=O)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1)C1CC1

HCID57484189

未命名化合物

PRODUCTS

生成物

结构：O=C(C(NS(=O)(=O)CCCl)C1CC1)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1

HCID178521361

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f99ebe61d2549e9b459d18701b0a544
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

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