HRID99304

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID6344

Dichloromethane

CH2Cl2

HCID8900

Heptane

C7H16

HCID24648

Sulfuryl chloride

Cl2O2S

HCID81531

Diisopropylethylamine

C8H19N

HCID67364448

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(CCCOS(C)(=O)=O)c1ccccc1Br

HCID72254405

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71945ab8b68d484486bc6996747fce48
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH:8]([CH2:9][CH2:10][CH2:11][OH:12])[NH:13][C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[cH:4][cH:5][cH:6][cH:7]1.[CH2:21]([N:22]([CH:23]([CH3:24])[CH3:25])[CH:26]([CH3:27])[CH3:28])[CH3:29].[CH2:43]([Cl:44])[Cl:45].[CH3:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42].[CH4:35].[S:30](=[O:31])(=[O:32])([Cl:33])[Cl:34]>>[Br:1][c:2]1[c:3]([CH:8]([CH2:9][CH2:10][CH2:11][O:12][S:30](=[O:31])(=[O:32])[CH3:36])[NH:13][C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[cH:4][cH:5][cH:6][cH:7]1