HRID108118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8471

Triethylamine

C6H15N

HCID851833

1-(2,3-Dichlorophenyl)piperazine

C10H12Cl2N2

HCID21073354

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C)c2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nc2[nH]c1=O

HCID21073538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c594afcf8b5b45d0a23276ba9b3aa1b7
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

[CH3:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([O:14][CH2:15][CH2:16][CH2:17][CH:18]=[O:19])[n:7][c:8]2[nH:9][c:10](=[O:13])[c:11]1[CH3:12].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[Cl:21][c:22]1[c:23]([N:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:24][cH:25][cH:26][c:27]1[Cl:28].[Cl:43][CH:44]([Cl:45])[CH3:46].[ClH:20].[OH2:42]>>[CH3:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([O:14][CH2:15][CH2:16][CH2:17][CH2:18][N:32]3[CH2:31][CH2:30][N:29]([c:23]4[c:22]([Cl:21])[c:27]([Cl:28])[cH:26][cH:25][cH:24]4)[CH2:34][CH2:33]3)[n:7][c:8]2[nH:9][c:10](=[O:13])[c:11]1[CH3:12]