HRID1566023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID7854

Propionitrile

C3H5N

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID2733995

4-(Piperazin-1-yl)benzonitrile

C11H13N3

HCID10514345

未命名化合物

HCID58324454

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)CC3CCCN43)CC2)cc1

HCID58324462

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e37042025a3142ffa381e0e02b40b55f
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:33]([CH2:34][P+:35]([CH3:36])([CH3:37])[CH3:38])#[N:39].[C:49](#[N:50])[CH2:51][CH3:52].[CH3:53][S:54]([CH3:55])=[O:56].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[I-:32].[N:18]1([c:24]2[cH:25][cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31]2)[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]1.[OH:1][CH2:2][c:3]1[cH:4][c:5]2[c:11]([n:12][cH:13]1)[N:10]1[CH:9]([CH2:8][C:7](=[O:17])[NH:6]2)[CH2:16][CH2:15][CH2:14]1>>[CH2:2]([c:3]1[cH:4][c:5]2[c:11]([n:12][cH:13]1)[N:10]1[CH:9]([CH2:8][C:7](=[O:17])[NH:6]2)[CH2:16][CH2:15][CH2:14]1)[N:21]1[CH2:20][CH2:19][N:18]([c:24]2[cH:25][cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31]2)[CH2:23][CH2:22]1