HRID1540091

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

HCID10514345

未命名化合物

HCID28749530

未命名化合物

HCID68784930

未命名化合物

PRODUCTS

生成物

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

HCID76760527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56733a3da0824eaea9cc8e473060bb3a
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:34]([CH2:35][P+:36]([CH3:37])([CH3:38])[CH3:39])#[N:40].[C:50](#[N:51])[CH2:52][CH3:53].[CH3:17][NH:18][C:19]([c:20]1[cH:21][cH:22][c:23]([N:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[cH:24][cH:25]1)=[O:32].[CH3:54][S:55]([CH3:56])=[O:57].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[I-:33].[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:29]1[CH2:28][CH2:27][N:26]([c:23]2[cH:22][cH:21][c:20]([C:19]([NH:18][CH3:17])=[O:32])[cH:25][cH:24]2)[CH2:31][CH2:30]1