HRID813702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6406

2-Hydroxy-2-methylpropanenitrile

C4H7NO

HCID15413

Methyl tert-butyl ether

C5H12O

HCID23938

Palladium

2 次

HCID81531

Diisopropylethylamine

C8H19N

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

结构：Cc1cnc(NC(=O)C(COC(C)CO[Si](C(C)C)(C(C)C)C(C)C)Oc2ncnc3c2cnn3-c2c(Cl)cccc2Br)cn1

HCID76550542

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(NC(=O)C(COC(C)CO[Si](C(C)C)(C(C)C)C(C)C)Oc2ncnc3c2cnn3-c2c(Cl)cccc2C#N)cn1

HCID75244145

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-518ac734e14e4ed587cd590be62c1ddc
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

[Br:1][c:2]1[c:3](-[n:9]2[n:10][cH:11][c:12]3[c:13]2[n:14][cH:15][n:16][c:17]3[O:18][CH:19]([C:20](=[O:21])[NH:22][c:23]2[n:24][cH:25][c:26]([CH3:29])[n:27][cH:28]2)[CH2:30][O:31][CH:32]([CH2:33][O:34][Si:35]([CH:36]([CH3:37])[CH3:38])([CH:39]([CH3:40])[CH3:41])[CH:42]([CH3:43])[CH3:44])[CH3:45])[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[C:57](=[O:58])([OH:59])[O-:60].[CH3:47][C:48](=[O:49])[O-:50].[CH3:51][C:52]([C:53]#[N:54])([CH3:55])[OH:56].[CH3:76][O:77][C:78]([CH3:79])([CH3:80])[CH3:81].[CH:67]([N:68]([CH:69]([CH3:70])[CH3:71])[CH2:72][CH3:73])([CH3:74])[CH3:75].[Na+:46].[Na+:61].[O:103]=[C:104]([CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1)[CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1.[O:121]=[C:122]([CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1)[CH:131]=[CH:132][c:133]1[cH:134][cH:135][cH:136][cH:137][cH:138]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[OH2:82].[Pd:83].[Pd:84]>>[c:2]1([C:53]#[N:54])[c:3](-[n:9]2[n:10][cH:11][c:12]3[c:13]2[n:14][cH:15][n:16][c:17]3[O:18][CH:19]([C:20](=[O:21])[NH:22][c:23]2[n:24][cH:25][c:26]([CH3:29])[n:27][cH:28]2)[CH2:30][O:31][CH:32]([CH2:33][O:34][Si:35]([CH:36]([CH3:37])[CH3:38])([CH:39]([CH3:40])[CH3:41])[CH:42]([CH3:43])[CH3:44])[CH3:45])[c:4]([Cl:8])[cH:5][cH:6][cH:7]1