HRID119419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID7294

Methyl acrylate

C4H6O2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID95417

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

C17H14O

3 次

结构：COc1ccc(Cn2nc(I)c3c(N4CCN(C(=O)OC(C)(C)C)CC4)c(-c4ccccc4)cnc32)cc1

HCID68760648

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C=Cc1nn(Cc2ccc(OC)cc2)c2ncc(-c3ccccc3)c(N3CCN(C(=O)OC(C)(C)C)CC3)c12

HCID68735183

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccb2b73e94094c358ac78204d005abba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:68]([CH:69]=[CH2:70])(=[O:71])[O:72][CH3:73].[CH3:137][C:138]#[N:139].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[CH3:74][CH2:75][O:76][C:77]([CH3:78])=[O:79].[I:1][c:2]1[n:3][n:4]([CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[c:5]2[n:6][cH:7][c:8](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:9]([N:11]3[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]3)[c:10]12.[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:119]=[C:120]([CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1)[CH:129]=[CH:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1.[O:140]=[CH:141][N:142]([CH3:143])[CH3:144].[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[OH2:80].[Pd:81].[Pd:82].[c:39]1([CH3:40])[cH:41][cH:42][cH:43][cH:44][c:45]1[P:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][c:52]1[CH3:53])[c:54]1[cH:55][cH:56][cH:57][cH:58][c:59]1[CH3:60]>>[c:2]1([CH:70]=[CH:69][C:68](=[O:71])[O:72][CH3:73])[n:3][n:4]([CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[c:5]2[n:6][cH:7][c:8](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:9]([N:11]3[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]3)[c:10]12