HRID1538446

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6343

Ethanethiol

C2H6S

HCID8471

Triethylamine

C6H15N

结构：CCOC(=O)CC(=O)c1cc(F)c(OS(=O)(=O)c2c(C)cc(C)cc2C)nc1Nc1ccc(F)cc1F

HCID13849317

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC(=O)c1cc(F)c(SCC)nc1Nc1ccc(F)cc1F

HCID13849319

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84b825b3b8514c6d9ab3fd90cd249a7b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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