HRID668208

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CCCN(CCOS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1sc2ccc(Cl)cc2c1C

HCID58713239

未命名化合物

HCID59516001

Ethyl [4-sulfanyl-2-(trifluoromethyl)phenoxy]acetate

C11H11F3O3S

PRODUCTS

生成物

结构：CCCN(CCSc1ccc(OCC(=O)OCC)c(C(F)(F)F)c1)S(=O)(=O)c1sc2ccc(Cl)cc2c1C

HCID68743689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0187cb307b34ea68735ca19d0df428d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:50](=[O:51])([O-:52])[O-:53].[CH2:32]([CH3:33])[O:34][C:35]([CH2:36][O:37][c:38]1[c:39]([C:45]([F:46])([F:47])[F:48])[cH:40][c:41]([SH:44])[cH:42][cH:43]1)=[O:49].[CH3:61][CH2:62][O:63][CH2:64][CH3:65].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([s:6][c:7]([S:10](=[O:11])(=[O:12])[N:13]([CH2:14][CH2:15][O:16][S:17]([c:18]3[cH:19][cH:20][c:21]([CH3:22])[cH:23][cH:24]3)(=[O:25])=[O:26])[CH2:27][CH2:28][CH3:29])[c:8]2[CH3:9])[cH:30][cH:31]1.[ClH:66].[Cs+:54].[Cs+:55].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([s:6][c:7]([S:10](=[O:11])(=[O:12])[N:13]([CH2:14][CH2:15][S:44][c:41]3[cH:40][c:39]([C:45]([F:46])([F:47])[F:48])[c:38]([O:37][CH2:36][C:35]([O:34][CH2:32][CH3:33])=[O:49])[cH:43][cH:42]3)[CH2:27][CH2:28][CH3:29])[c:8]2[CH3:9])[cH:30][cH:31]1