HRID2135035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID9864

Cyanamide

CH2N2

结构：COc1ccc(Cl)cc1C(=S)N=c1sc(C(C)(C)C)cn1CC1(OC(C)=O)CC1

HCID87179275

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cl)cc1C(=NC#N)N=c1sc(C(C)(C)C)cn1CC1(OC(C)=O)CC1

HCID87179508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d27d70236b8d45d6ba5dc5598d9bb7ed
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

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