HRID2135783

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

结构：COCCn1c(-c2ccc(C(C)C)cc2)nc2c(Br)c(CO)cc(OC)c21

HCID57771990

未命名化合物

PRODUCTS

生成物

结构：COCCn1c(-c2ccc(C(C)C)cc2)nc2c(Br)c(COS(C)(=O)=O)cc(OC)c21

HCID57771995

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5268d76469c04b9c964c70bafe0e29bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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