HRID146438

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID61668

Boronic acid

H3BO2

HCID4738276

5-Chloro-2-methoxypyridine

C6H6ClNO

结构：CC(C)(C)OC(=O)NCc1ccc(OS(=O)(=O)C(F)(F)F)c(OC(F)(F)F)c1

HCID86613380

未命名化合物

PRODUCTS

生成物

结构：COc1ncc(Cl)cc1-c1ccc(CNC(=O)OC(C)(C)C)cc1OC(F)(F)F

HCID67244039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c95ac04c4198458c88b9159339c9da74
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[BH:29]([OH:30])[OH:31].[C:131]([O:132][CH2:133][CH3:134])(=[O:135])[CH3:136].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][c:12]([O:24][C:25]([F:26])([F:27])[F:28])[c:13]([O:16][S:17]([C:18]([F:19])([F:20])[F:21])(=[O:22])=[O:23])[cH:14][cH:15]1.[CH3:137][CH2:138][CH2:139][CH2:140][CH2:141][CH2:142][CH3:143].[CH3:144][CH2:145][OH:146].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl:32][c:33]1[cH:34][cH:35][c:36]([O:39][CH3:40])[n:37][cH:38]1.[Na+:48].[Na+:49].[O-:50][C:51](=[O:52])[O-:53].[Pd:54].[c:112]1([P:113]([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127][cH:128][cH:129][cH:130]1.[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108][cH:109][cH:110][cH:111]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][c:12]([O:24][C:25]([F:26])([F:27])[F:28])[c:13](-[c:35]2[cH:34][c:33]([Cl:32])[cH:38][n:37][c:36]2[O:39][CH3:40])[cH:14][cH:15]1