HRID2158322

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID3102

Benzophenone

C13H10O

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID3826051

未命名化合物

HCID56844292

1-Bromo-3-tert-butoxy-5-fluorobenzene

C10H12BrFO

PRODUCTS

生成物

HCID66743914

3-tert-Butoxy-5-fluoroaniline

C10H14FNO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75a5777543644cc497002a24b01f2ba1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[cH:5][c:6]([F:8])[cH:7]1.[C:77]([O-:78])(=[O:79])[CH3:80].[CH3:28][O-:29].[CH3:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[CH3:92][OH:93].[ClH:82].[NH2:83][OH:84].[Na+:30].[Na+:81].[O:14]=[C:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][c:42]3[c:43]([cH:44][cH:45][cH:46][cH:47]3)[c:48]2-[c:49]2[c:50]3[c:51]([cH:52][cH:53][cH:54][cH:55]3)[cH:56][cH:57][c:58]2[P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[c:2]1([NH2:83])[cH:3][c:4]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[cH:5][c:6]([F:8])[cH:7]1