HRID115678

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

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

HCID87949

p-Anisyldithiophosphonic anhydride

C14H14O2P2S4

结构：N#CCCNC(=O)C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21

HCID10735656

未命名化合物

PRODUCTS

生成物

结构：N#CCCNC(=S)C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21

HCID9863361

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34cf606b6dd445a88034be0b79fc0a6c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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