HRID191732

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID61400

Benzene, 4-ethenyl-1,2-dimethoxy-

C10H12O2

HCID81531

Diisopropylethylamine

C8H19N

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

结构：Cn1ccc2cc(-n3c(O)nnc3-c3cc(Br)c(OCc4ccccc4)cc3OCc3ccccc3)ccc21

HCID178480083

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C=Cc2cc(-c3nnc(O)n3-c3ccc4c(ccn4C)c3)c(OCc3ccccc3)cc2OCc2ccccc2)cc1OC

HCID178489978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-faf668bdcd7e4376803e8f34e4ffe06c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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