HRID181121

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7969

Benzenethiol

C6H6S

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)c1cc2c(CN(C)C)cn(Cc3ccc(F)cc3F)c2cn1

HCID69197020

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc2c(CSc3ccccc3)cn(Cc3ccc(F)cc3F)c2cn1

HCID69198865

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-497362a434aa48b8b088cb5599e23eff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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