HRID293429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

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

HCID634876

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

C44H32P2

HCID21062883

Methyl 6-chloro-2-(4-fluorophenyl)pyridine-3-carboxylate

C13H9ClFNO2

HCID21939655

tert-Butyl (2,6-difluorophenyl)carbamate

C11H13F2NO2

PRODUCTS

生成物

结构：COC(=O)c1ccc(Nc2c(F)cccc2F)nc1-c1ccc(F)cc1

HCID9820147

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb75df32ef93404b88dc4b8b2facf5f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:101]([O-:102])(=[O:103])[CH3:104].[C:65]([O:66][C:67]([CH3:68])([CH3:69])[CH3:70])(=[O:71])[NH:72][c:73]1[c:74]([F:80])[cH:75][cH:76][cH:77][c:78]1[F:79].[C:96]([O-:97])(=[O:98])[CH3:99].[CH3:105][CH2:106][O:107][C:108]([CH3:109])=[O:110].[CH3:47][O:48][C:49]([c:50]1[c:51](-[c:57]2[cH:58][cH:59][c:60]([F:63])[cH:61][cH:62]2)[n:52][c:53]([Cl:56])[cH:54][cH:55]1)=[O:64].[CH3:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[K+:86].[K+:87].[K+:88].[P:81]([O-:82])([O-:83])([O-:84])=[O:85].[Pd+2:100].[cH:1]1[cH:2][cH:3][c:4]([P:5]([c:6]2[cH:7][cH:8][c:9]3[c:10]([cH:11][cH:12][cH:13][cH:14]3)[c:15]2-[c:16]2[c:17]3[c:18]([cH:19][cH:20][cH:21][cH:22]3)[cH:23][cH:24][c:25]2[P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46]1>>[CH3:47][O:48][C:49]([c:50]1[c:51](-[c:57]2[cH:58][cH:59][c:60]([F:63])[cH:61][cH:62]2)[n:52][c:53]([NH:72][c:73]2[c:74]([F:80])[cH:75][cH:76][cH:77][c:78]2[F:79])[cH:54][cH:55]1)=[O:64]