HRID801083

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

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID66827

Boronic acid, phenyl-

C6H7BO2

结构：CC(C(=O)Nc1ccc(Br)n(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O)N(C)C(=O)OCc1ccccc1

HCID178460007

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)Nc1ccc(-c2ccccc2)n(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O)N(C)C(=O)OCc1ccccc1

HCID178460008

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63b11a940940471791ff7f22065cb756
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:51](=[O:52])([O-:53])[O-:54].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([N:10]([CH3:11])[CH:12]([CH3:13])[C:14]([NH:15][c:16]1[c:17](=[O:39])[n:18]([CH2:23][c:24]2[cH:25][n:26][cH:27][c:28]([C:30]([c:31]3[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]3)=[O:38])[cH:29]2)[c:19]([Br:22])[cH:20][cH:21]1)=[O:40])=[O:41].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH3:64][CH2:65][OH:66].[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[Na+:55].[Na+:56].[Pd:73]([Cl:74])[Cl:75].[c:42]1([B:48]([OH:49])[OH:50])[cH:43][cH:44][cH:45][cH:46][cH:47]1.[c:76]1([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[cH:90][cH:91][cH:92][cH:93][cH:94]1.[c:95]1([P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[cH:109][cH:110][cH:111][cH:112][cH:113]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([N:10]([CH3:11])[CH:12]([CH3:13])[C:14]([NH:15][c:16]1[c:17](=[O:39])[n:18]([CH2:23][c:24]2[cH:25][n:26][cH:27][c:28]([C:30]([c:31]3[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]3)=[O:38])[cH:29]2)[c:19](-[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:20][cH:21]1)=[O:40])=[O:41]