HRID2327109

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：CN1C(=O)C(NC(=O)OCc2ccccc2)N=C(c2ccccc2)c2ccccc21

HCID18969006

未命名化合物

PRODUCTS

生成物

结构：CN1C(=S)C(NC(=O)OCc2ccccc2)N=C(c2ccccc2)c2ccccc21

HCID18968934

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1c42f858c0142d2b9dde3a6ed3f2b3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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