HRID103209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2756254

p-acetoxybenzoyl chloride

C9H7ClO3

HCID21836554

[4-(3-Azetidinyl)-1-piperazinyl]phenylmethanone

C14H19N3O

PRODUCTS

生成物

结构：CC(=O)Oc1ccc(C(=O)N2CC(N3CCN(C(=O)c4ccccc4)CC3)C2)cc1

HCID59625939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7be5361ba1b34bf1ad794e8470ea4e2f
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

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