HRID1239620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID17943

m-Bromobenzenesulphonyl chloride

C6H4BrClO2S

HCID58712973

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCSc1ccc(OCC(=O)OCC)c(C)c1)S(=O)(=O)c1cccc(Br)c1

HCID58713164

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ca757e048424ecc8ed284a47a3e2a98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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