HRID290921

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7809

p-Xylene

C8H10

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(CC#N)n3)cc21

HCID22021893

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OC(=S)Nc2ccc(-c3cccc(CC#N)n3)cc21

HCID10267348

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0680708579d43cbb71f147e50e5c814
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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