HRID1548090

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID240

Benzaldehyde

C7H6O

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID2724942

未命名化合物

结构：O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CC2CCCNC2)CC1

HCID70692344

1-Piperazinecarboxamide, N-(3,4-dichlorophenyl)-4-(3-piperidinylmethyl)-

C17H24Cl2N4O

PRODUCTS

生成物

结构：O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CC2CCCN(Cc3ccccc3)C2)CC1

HCID178522082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a121760fc80d40148c4e9d7d61691e85
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[CH:36](=[O:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Cl:3][c:4]1[cH:5][c:6]([NH:11][C:12](=[O:13])[N:14]2[CH2:15][CH2:16][N:17]([CH2:20][CH:21]3[CH2:22][NH:23][CH2:24][CH2:25][CH2:26]3)[CH2:18][CH2:19]2)[cH:7][cH:8][c:9]1[Cl:10].[Cl:58][CH2:59][Cl:60].[ClH:1].[ClH:2].[Na+:57]>>[Cl:3][c:4]1[cH:5][c:6]([NH:11][C:12](=[O:13])[N:14]2[CH2:15][CH2:16][N:17]([CH2:20][CH:21]3[CH2:22][N:23]([CH2:36][c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[CH2:24][CH2:25][CH2:26]3)[CH2:18][CH2:19]2)[cH:7][cH:8][c:9]1[Cl:10]