HRID1116562

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID66054

Butanoyl chloride, 3-methyl-

C5H9ClO

HCID227304

(4-Chlorophenyl)methanesulfonyl chloride

C7H6Cl2O2S

HCID269722

1-(4-Methoxyphenyl)piperazine

C11H16N2O

HCID23111492

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)c(N2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1F

HCID23111489

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47e2fc2f0ec94cfaa0cfcc9f1309fdae
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:17]([Cl:18])(=[O:19])[CH2:20][CH:21]([CH3:22])[CH3:23].[CH3:3][O:4][c:5]1[cH:6][cH:7][c:8]([N:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[cH:15][cH:16]1.[Cl:40][c:41]1[cH:42][cH:43][c:44]([CH2:45][S:46](=[O:47])(=[O:48])[Cl:49])[cH:50][cH:51]1.[ClH:1].[ClH:2].[F:24][c:25]1[c:26]([N:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[cH:27][c:28]([F:33])[c:29]([O:31][CH3:32])[cH:30]1>>[F:24][c:25]1[c:26]([N:34]2[CH2:35][CH2:36][N:37]([S:46]([CH2:45][c:44]3[cH:43][cH:42][c:41]([Cl:40])[cH:51][cH:50]3)(=[O:47])=[O:48])[CH2:38][CH2:39]2)[cH:27][c:28]([F:33])[c:29]([O:31][CH3:32])[cH:30]1