HRID2142910

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID122465

4-N,N-Dimethylamino-1-naphthylisothiocyanate

C13H12N2S

结构：CN1C(=O)C(N)N=C(c2ccccc2)c2cc(Cl)ccc21

HCID22135266

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1ccc(NC(=S)NC2N=C(c3ccccc3)c3cc(Cl)ccc3N(C)C2=O)c2ccccc12

HCID10218116

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01e180e2712d4b87af0470fe62a3e311
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

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