HRID1149710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID139852

5-Hexynenitrile

C6H7N

结构：O=C(NOCc1cccc(I)c1)c1ccccc1NCc1ccncc1

HCID58989772

未命名化合物

PRODUCTS

生成物

结构：N#CCCCC#Cc1cccc(CONC(=O)c2ccccc2NCc2ccncc2)c1

HCID11362277

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d711d9e205d4118b4bb81312e783015
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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