HRID817920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7096

Phenylpiperazine

C10H14N2

HCID8857

Ethyl acetate

C4H8O2

HCID31348

Citrate

C6H5O7-3

HCID13806185

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1c(CCN2CCN(c3ccccc3)CC2)nc2cc(Br)c3ccccc3c21

HCID13806187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63299a779c1543e68f65345598de37f8
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:2][c:3]1[cH:4][c:5]2[c:6]([n:7]([CH:13]([CH3:14])[CH3:15])[c:8]([CH2:10][CH2:11][Cl:12])[n:9]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]12.[C:34]([O-:35])(=[O:36])[CH2:37][C:38]([CH2:39][C:40]([O-:41])=[O:42])([C:43]([O-:44])=[O:45])[OH:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[ClH:1].[c:22]1([N:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[Br:2][c:3]1[cH:4][c:5]2[c:6]([n:7]([CH:13]([CH3:14])[CH3:15])[c:8]([CH2:10][CH2:11][N:31]3[CH2:30][CH2:29][N:28]([c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[CH2:33][CH2:32]3)[n:9]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]12