HRID822851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID237573

methyl 4-sulfanylbenzoate

C8H8O2S

结构：Fc1cc2nc(-c3ccc(Cl)cc3)n(C(COc3ccccc3F)C3CCCCC3)c2cc1F

HCID46184441

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(SCC(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)cc1

HCID66619343

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb40c52383d14b55942eb3ea4bf0851b
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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