HRID1203061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID7854

Propionitrile

C3H5N

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID10514345

未命名化合物

HCID58324401

未命名化合物

HCID58324457

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)C3CSCCN43)CC2)c(Cl)c1

HCID76760513

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccf927ebe2604aba8622e64b617c9062
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:19]([CH2:20][P+:21]([CH3:22])([CH3:23])[CH3:24])#[N:25].[C:54](#[N:55])[CH2:56][CH3:57].[CH3:58][S:59]([CH3:60])=[O:61].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:27][c:28]1[cH:29][c:30]([C:31](=[O:32])[NH:33][CH2:34][CH3:35])[cH:36][cH:37][c:38]1[N:39]1[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]1.[ClH:26].[I-:18].[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][S: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][S:15][CH2:14][CH2:13]1)[N:42]1[CH2:41][CH2:40][N:39]([c:38]2[c:28]([Cl:27])[cH:29][c:30]([C:31](=[O:32])[NH:33][CH2:34][CH3:35])[cH:36][cH:37]2)[CH2:44][CH2:43]1