HRID1122632

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID12081

Benzoic acid, 4-bromo-, methyl ester

C8H7BrO2

HCID105144

Palladium(2+)

Pd+2

HCID7147099

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)cc2)cc1

HCID58270607

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8295643ebf044ac3994acbb2601ff0ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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