HRID177356

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID2776292

2,1,3-Benzothiadiazol-5-yl isothiocyanate

C7H3N3S2

HCID10065413

未命名化合物

PRODUCTS

产物

HCID16718099

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-938a92cb90114db9bd69e958b2fc4849
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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