HRID1549040

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID31275

1,4-Dioxane

C4H8O2

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

HCID87949

p-Anisyldithiophosphonic anhydride

C14H14O2P2S4

结构：CCOC(=O)c1nn(Cc2ccc(-c3cccnc3)nc2C)c2ncccc2c1=O

HCID66744617

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1nn(Cc2ccc(-c3cccnc3)nc2C)c2ncccc2c1=S

HCID86662100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e75fe1d962294d26a332582a7207bef2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([CH2:14][n:15]2[n:16][c:17]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[c:18](=[O:25])[c:19]3[c:20]2[n:21][cH:22][cH:23][cH:24]3)[cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][cH:11][cH:12][cH:13]2)[n:7]1.[CH3:31][O:32][c:33]1[cH:34][cH:35][c:36]([P:37]2(=[S:40])[S:38][P:39]([c:41]3[cH:42][cH:43][c:44]([O:45][CH3:46])[cH:47][cH:48]3)(=[S:49])[S:50]2)[cH:51][cH:52]1.[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1>>[CH3:1][c:2]1[c:3]([CH2:14][n:15]2[n:16][c:17]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[c:18](=[S:40])[c:19]3[c:20]2[n:21][cH:22][cH:23][cH:24]3)[cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][cH:11][cH:12][cH:13]2)[n:7]1