HRID1116899

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID68536

Methanol, 1-bromo-, 1-acetate

C3H5BrO2

HCID104967

Cesium(1+)

Cs+

2 次

结构：O=C(O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(F)cc1Cl)OCCO2

HCID67192103

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(F)cc1Cl)OCCO2

HCID57870890

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-029472fc3e854b128c5bfdc9dc7371f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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