HRID117426

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

2 次

HCID996

Phenol

C6H6O

HCID6375

Nitromethane

CH3NO2

HCID7017

2-Phenylphenol

C12H10O

HCID7467

1-(4-Chlorophenyl)ethanone

C8H7ClO

HCID61681

Phosphorodifluoridic acid

HF2O2P

HCID3034819

Methyl radical

CH3

HCID21551955

未命名化合物

HCID21551960

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

HCID136047

6H-Dibenzo(b,d)pyran

C13H10O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ecd863d580e4bec9755ae13704d60a2
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

[CH3:36][C:37]1([c:51]2[cH:52][cH:53][c:54]([Cl:55])[cH:56][cH:57]2)[c:38]2[c:39]([cH:47][cH:48][cH:49][cH:50]2)-[c:40]2[c:41]([cH:43][cH:44][cH:45][cH:46]2)[O:42]1.[CH3:59].[CH3:87][OH:88].[Cl:14][c:15]1[cH:16][cH:17][c:18]([C:19](=[O:20])[CH3:21])[cH:22][cH:23]1.[Cl:62][c:63]1[cH:64][cH:65][c:66]([CH:67]2[c:68]3[cH:69][cH:70][cH:71][c:72]([OH:73])[c:74]3-[c:75]3[c:76]2[cH:77][cH:78][cH:79][cH:80]3)[cH:81][cH:82]1.[H:60][H:61].[N+:83]([CH3:84])([O-:85])=[O:86].[O:58].[OH2:89].[OH:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[P:24]([F:25])([F:26])(=[O:27])[OH:28].[c:1]1(-[c:2]2[cH:3][cH:4][cH:5][cH:6][c:7]2[OH:8])[cH:9][cH:10][cH:11][cH:12][cH:13]1>>[CH2:37]1[c:38]2[c:39]([cH:47][cH:48][cH:49][cH:50]2)-[c:40]2[c:41]([cH:43][cH:44][cH:45][cH:46]2)[O:42]1