HRID2142793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7815

Benzenethiol, 4-chloro-

C6H5ClS

HCID8471

Triethylamine

C6H15N

HCID21885

2-Dimethylaminopyridine

C7H10N2

结构：Cc1nc(C(F)(F)F)ccc1C(=O)C1=C(Cl)C2CCC(C2)C1=O

HCID18374265

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(F)(F)F)ccc1C(=O)C1=C(Sc2ccc(Cl)cc2)C2CCC(C2)C1=O

HCID18374270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a02609a66d374e9a82092ebad9290a39
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

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