HRID174561

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：Cc1c(-c2ccccc2)c(F)c2oc(C(N)=O)nc2c1C#N

HCID68584431

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccccc2)c(F)c2oc(C(N)=S)nc2c1C#N

HCID86097399

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3f66956390b4072bf097e263c9a5fa7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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