HRID86122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID114942

Titanium(4+)

Ti+4

HCID119440

1-Hydroxyethyl radical

C2H5O-

4 次

HCID3382465

未命名化合物

HCID58579524

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(C(=NS(=O)C(C)(C)C)c2cc(Cl)cc(F)c2C#N)c1

HCID76821604

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-368acfddd99f4f459df98d2e9ba1c667
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:21][C:22]([CH3:23])([CH3:24])[S:25](=[O:26])[NH2:27].[CH3:41][CH2:42][O-:43].[CH3:45][CH2:46][O-:47].[CH3:48][CH2:49][O-:50].[CH3:51][CH2:52][O-:53].[Cl:1][c:2]1[cH:3][c:4]([F:20])[c:5]([C:6]#[N:7])[c:8]([C:10]([c:11]2[cH:12][c:13]([O:17][CH3:18])[cH:14][cH:15][cH:16]2)=[O:19])[cH:9]1.[Cl:38][CH2:39][Cl:40].[Na+:32].[O-:28][C:29]([OH:30])=[O:31].[Ti+4:44]>>[Cl:1][c:2]1[cH:3][c:4]([F:20])[c:5]([C:6]#[N:7])[c:8]([C:10]([c:11]2[cH:12][c:13]([O:17][CH3:18])[cH:14][cH:15][cH:16]2)=[N:27][S:25]([C:22]([CH3:21])([CH3:23])[CH3:24])=[O:26])[cH:9]1