HRID1552238

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7854

Propionitrile

C3H5N

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID10514345

未命名化合物

HCID28749052

未命名化合物

HCID68784930

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CC1)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)C3CCCN43)CC2)cc1

HCID75236196

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ea452126736462eb879f2be144bbf96
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:36]([CH2:37][P+:38]([CH3:39])([CH3:40])[CH3:41])#[N:42].[C:52](#[N:53])[CH2:54][CH3:55].[CH:17]1([NH:20][C:21]([c:22]2[cH:23][cH:24][c:25]([N:28]3[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]3)[cH:26][cH:27]2)=[O:34])[CH2:18][CH2:19]1.[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[I-:35].[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:16])[NH:6]2)[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:16])[NH:6]2)[CH2:15][CH2:14][CH2:13]1)[N:31]1[CH2:30][CH2:29][N:28]([c:25]2[cH:24][cH:23][c:22]([C:21]([NH:20][CH:17]3[CH2:18][CH2:19]3)=[O:34])[cH:27][cH:26]2)[CH2:33][CH2:32]1