HRID1148042

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID260

Hydrogen Bromide

BrH

HCID7055

2-Methylnaphthalene

C11H10

HCID9038

O,O,O-Trimethyl phosphorothioate

C3H9O3PS

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

HCID87949

p-Anisyldithiophosphonic anhydride

C14H14O2P2S4

HCID10197969

未命名化合物

HCID21884954

未命名化合物

PRODUCTS

生成物

HCID13668048

7-Methylnaphthalene-1-carboxylic acid

C12H10O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb425f46dea544089f69931870ed145a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:54].[CH3:29][c:30]1[cH:31][c:32]2[c:33]([cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39]1.[CH3:40][c:41]1[cH:42][cH:43][c:44]2[cH:45][cH:46][cH:47][c:48]([C:51]([CH3:52])=[O:53])[c:49]2[cH:50]1.[CH3:55][O:56][P:57]([O:58][CH3:59])([O:60][CH3:61])=[S:62].[CH3:7][O:8][c:9]1[cH:10][cH:11][c:12]([P:13]2(=[S:26])[S:14][P:15]([c:16]3[cH:17][cH:18][c:19]([O:20][CH3:21])[cH:22][cH:23]3)(=[S:24])[S:25]2)[cH:27][cH:28]1.[P:1]([O:2][CH3:6])([O-:3])[O:4][CH3:5].[cH:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[O:2]=[C:51]([c:48]1[cH:47][cH:46][cH:45][c:44]2[cH:43][cH:42][c:41]([CH3:40])[cH:50][c:49]21)[OH:53]