HRID123741

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)CCC1

HCID86623441

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)CCC1

HCID86623440

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a2950dda0f5409fa2d5b56c865b15e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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