HRID695361

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID145222

3-Chloro-4-fluorobenzenesulphonyl chloride

C6H3Cl2FO2S

HCID59192558

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)COc1cccc2c1CCCC2NS(=O)(=O)c1ccc(F)c(Cl)c1

HCID67278706

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ceabe46fab564ee9a743ba73d969d32b
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:2]([CH3:3])([CH3:4])([CH3:5])[O:6][C:7]([CH2:8][O:9][c:10]1[cH:11][cH:12][cH:13][c:14]2[c:19]1[CH2:18][CH2:17][CH2:16][CH:15]2[NH2:20])=[O:21].[CH3:34][N:35]([CH3:36])[c:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1.[Cl:22][c:23]1[cH:24][c:25]([S:30](=[O:31])(=[O:32])[Cl:33])[cH:26][cH:27][c:28]1[F:29].[ClH:1].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[C:2]([CH3:3])([CH3:4])([CH3:5])[O:6][C:7]([CH2:8][O:9][c:10]1[cH:11][cH:12][cH:13][c:14]2[c:19]1[CH2:18][CH2:17][CH2:16][CH:15]2[NH:20][S:30]([c:25]1[cH:24][c:23]([Cl:22])[c:28]([F:29])[cH:27][cH:26]1)(=[O:31])=[O:32])=[O:21]