HRID700142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID11008040

benzenesulfenyl chloride

C6H5ClS

结构：CCOC(=O)NCCOc1ccc(Oc2cc(F)cc(F)c2)cc1

HCID13502190

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N(CCOc1ccc(Oc2cc(F)cc(F)c2)cc1)Sc1ccccc1

HCID19775874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09dd9dedb9ef4ae5a4a2146cbd3ddbca
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

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