HRID2160652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID521359

4-Isothiocyanatobenzenesulfonamide

C7H6N2O2S2

HCID67422065

未命名化合物

PRODUCTS

生成物

结构：NS(=O)(=O)c1ccc(NC(=S)NCCCCCCCCN(CC(=O)O)Cc2ccccn2)cc1

HCID46234261

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f3d5c29db844e2e956ab897b75f9e04
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:35][C:36]#[N:37].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[N:22](=[C:23]=[S:24])[c:25]1[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[NH2:34])[cH:29][cH:30]1.[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][N:10]([CH2:11][C:12](=[O:13])[OH:14])[CH2:15][c:16]1[n:17][cH:18][cH:19][cH:20][cH:21]1>>[NH:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][N:10]([CH2:11][C:12](=[O:13])[OH:14])[CH2:15][c:16]1[n:17][cH:18][cH:19][cH:20][cH:21]1)[C:23]([NH:22][c:25]1[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[NH2:34])[cH:29][cH:30]1)=[S:24]