HRID1127194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

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

HCID87949

p-Anisyldithiophosphonic anhydride

C14H14O2P2S4

结构：CC(C)(C)OC(=O)n1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OC(=O)N2

HCID11280075

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OC(=S)N2

HCID9977271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5822e94864541f99b4476737a4cdfdb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9](-[c:15]2[cH:16][c:17]3[c:18]([cH:26][cH:27]2)[NH:19][C:20](=[O:25])[O:21][C:22]3([CH3:23])[CH3:24])[cH:10][cH:11][c:12]1[C:13]#[N:14].[CH3:28][O:29][c:30]1[cH:31][cH:32][c:33]([P:34]2(=[S:37])[S:35][P:36]([c:38]3[cH:39][cH:40][c:41]([O:42][CH3:43])[cH:44][cH:45]3)(=[S:46])[S:47]2)[cH:48][cH:49]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9](-[c:15]2[cH:16][c:17]3[c:18]([cH:26][cH:27]2)[NH:19][C:20](=[S:37])[O:21][C:22]3([CH3:23])[CH3:24])[cH:10][cH:11][c:12]1[C:13]#[N:14]