HRID2310075

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CCC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(S(N)(=O)=O)cc1

HCID69156329

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(S(=O)(=O)NC(=O)OC)cc1

HCID86599570

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e2caba843fb4da3bffe2b7373a863b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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