HRID152606

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

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

HCID58324475

未命名化合物

PRODUCTS

生成物

结构：O=C1Nc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)cnc2N2CCCCC12

HCID46864366

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9e4372257b549b087a871829ce5a941
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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