HRID1204016

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7237

o-Xylene

C8H10

HCID8857

Ethyl acetate

C4H8O2

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

HCID87949

p-Anisyldithiophosphonic anhydride

C14H14O2P2S4

结构：CC1(C)OC(=O)Nc2ccc(-c3cccc(C#N)c3)cc21

HCID9814216

3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzonitrile

C17H14N2O2

PRODUCTS

生成物

结构：CC1(C)OC(=S)Nc2ccc(-c3cccc(C#N)c3)cc21

HCID9839078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e8660a3c7954da0a0d5e8aa2691baba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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