HRID144413

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID4837

Piperazine

C4H10N2

HCID6328

Methyl iodide

CH3I

HCID76619

2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one

C13H8ClNO2

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

HCID87949

p-Anisyldithiophosphonic anhydride

C14H14O2P2S4

PRODUCTS

生成物

HCID11738520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74143be5c66446f09c5ecbfbcd7dd752
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

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