HRID2313003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID7854

Propionitrile

C3H5N

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID97478

1-(4-Chlorophenyl)piperazine

C10H13ClN2

HCID10514345

未命名化合物

HCID58324463

未命名化合物

PRODUCTS

生成物

结构：O=C1CN(Cc2ccccc2)c2ncc(CN3CCN(c4ccc(Cl)cc4)CC3)cc2N1

HCID46864443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2870350361ce4cef8feaf46fbbbffb1b
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:22]([CH2:23][P+:24]([CH3:25])([CH3:26])[CH3:27])#[N:28].[C:52](#[N:53])[CH2:54][CH3:55].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[c:9]2[c:10]([cH:15][c:16]([CH2:19][OH:20])[cH:17][n:18]2)[NH:11][C:12](=[O:14])[CH2:13]1.[CH2:29]([N:30]([CH:31]([CH3:32])[CH3:33])[CH:34]([CH3:35])[CH3:36])[CH3:37].[Cl:39][c:40]1[cH:41][cH:42][c:43]([N:46]2[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]2)[cH:44][cH:45]1.[ClH:38].[I-:21].[OH2:56]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[c:9]2[c:10]([cH:15][c:16]([CH2:19][N:49]3[CH2:48][CH2:47][N:46]([c:43]4[cH:42][cH:41][c:40]([Cl:39])[cH:45][cH:44]4)[CH2:51][CH2:50]3)[cH:17][n:18]2)[NH:11][C:12](=[O:14])[CH2:13]1