HRID2319725

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

HCID74372

Benzoyl chloride, 4-(1,1-dimethylethyl)-

C11H13ClO

HCID269722

1-(4-Methoxyphenyl)piperazine

C11H16N2O

HCID23111492

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)c(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1F

HCID23111512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a81944fffb6a454dafd22548315fe13c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:17]([Cl:18])(=[O:19])[CH2:20][CH:21]([CH3:22])[CH3:23].[C:40]([CH3:41])([CH3:42])([CH3:43])[c:44]1[cH:45][cH:46][c:47]([C:48](=[O:49])[Cl:50])[cH:51][cH:52]1.[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.[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]([C:48]([c:47]3[cH:46][cH:45][c:44]([C:40]([CH3:41])([CH3:42])[CH3:43])[cH:52][cH:51]3)=[O:49])[CH2:38][CH2:39]2)[cH:27][c:28]([F:33])[c:29]([O:31][CH3:32])[cH:30]1