HRID162106

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：Cc1ccc(F)cc1C1NC(=O)CC(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12

HCID69158656

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(F)cc1C1NC(=S)CC(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12

HCID131727322

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa66db16bf0d4fc886311d2be9fb02d8
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

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