HRID98178

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

HCID58324431

未命名化合物

PRODUCTS

生成物

结构：CN1CC(=O)Nc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)cnc21

HCID46864442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b92d95a9cbb40e3928f912049464524
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:16]([CH2:17][P+:18]([CH3:19])([CH3:20])[CH3:21])#[N:22].[C:46](#[N:47])[CH2:48][CH3:49].[CH2:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH:28]([CH3:29])[CH3:30])[CH3:31].[Cl:33][c:34]1[cH:35][cH:36][c:37]([N:40]2[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]2)[cH:38][cH:39]1.[ClH:32].[I-:15].[OH2:50].[OH:1][CH2:2][c:3]1[cH:4][c:5]2[c:6]([n:13][cH:14]1)[N:7]([CH3:12])[CH2:8][C:9](=[O:11])[NH:10]2>>[CH2:2]([c:3]1[cH:4][c:5]2[c:6]([n:13][cH:14]1)[N:7]([CH3:12])[CH2:8][C:9](=[O:11])[NH:10]2)[N:43]1[CH2:42][CH2:41][N:40]([c:37]2[cH:36][cH:35][c:34]([Cl:33])[cH:39][cH:38]2)[CH2:45][CH2:44]1