HRID289424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

结构：COc1ccc(P2(=S)SP(=S)(c3ccc(OC)cc3)S2)cc1

HCID87949

p-Anisyldithiophosphonic anhydride

C14H14O2P2S4

结构：CCOC(=O)C1=C(COCC(N)=O)NC(C)=C(C(=O)OC)C1c1ccccc1Cl

HCID13457222

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1=C(COCC(N)=S)NC(C)=C(C(=O)OC)C1c1ccccc1Cl

HCID13457228

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4e83f167f5d4754b7ec7713e3e4ed34
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:30][O:31][c:32]1[cH:33][cH:34][c:35]([P:36]2(=[S:39])[S:37][P:38]([c:40]3[cH:41][cH:42][c:43]([O:44][CH3:45])[cH:46][cH:47]3)(=[S:48])[S:49]2)[cH:50][cH:51]1.[CH3:52][C:53]#[N:54].[Cl:1][c:2]1[c:3]([CH:8]2[C:9]([C:25](=[O:26])[O:27][CH2:28][CH3:29])=[C:10]([CH2:19][O:20][CH2:21][C:22](=[O:23])[NH2:24])[NH:11][C:12]([CH3:18])=[C:13]2[C:14](=[O:15])[O:16][CH3:17])[cH:4][cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[c:3]([CH:8]2[C:9]([C:25](=[O:26])[O:27][CH2:28][CH3:29])=[C:10]([CH2:19][O:20][CH2:21][C:22]([NH2:24])=[S:39])[NH:11][C:12]([CH3:18])=[C:13]2[C:14](=[O:15])[O:16][CH3:17])[cH:4][cH:5][cH:6][cH:7]1