HRID169977

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID31275

1,4-Dioxane

C4H8O2

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

HCID87949

p-Anisyldithiophosphonic anhydride

C14H14O2P2S4

结构：CC1(C)Oc2cc(NS(C)(=O)=O)ccc2N(c2ccc(F)cc2)C1=O

HCID24744336

Apararenone

C17H17FN2O4S

PRODUCTS

生成物

结构：CC1(C)Oc2cc(NS(C)(=O)=O)ccc2N(c2ccc(F)cc2)C1=S

HCID25217937

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aedb94de99a44987a7b24e483dd1ffec
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

[CH3:26][O:27][c:28]1[cH:29][cH:30][c:31]([P:32]2(=[S:35])[S:33][P:34]([c:36]3[cH:37][cH:38][c:39]([O:40][CH3:41])[cH:42][cH:43]3)(=[S:44])[S:45]2)[cH:46][cH:47]1.[CH:54]([Cl:55])([Cl:56])[Cl:57].[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[C:9](=[O:25])[C:10]([CH3:23])([CH3:24])[O:11][c:12]3[c:13]2[cH:14][cH:15][c:16]([NH:18][S:19](=[O:20])(=[O:21])[CH3:22])[cH:17]3)[cH:6][cH:7]1.[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[C:9](=[S:35])[C:10]([CH3:23])([CH3:24])[O:11][c:12]3[c:13]2[cH:14][cH:15][c:16]([NH:18][S:19](=[O:20])(=[O:21])[CH3:22])[cH:17]3)[cH:6][cH:7]1