HRID1567085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID14272

3-Vinylpyridine

C7H7N

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(C4CC4)cnc32)cc1

HCID68761344

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2nc(C=Cc3cccnc3)c3c(N4CCN(C(=O)OC(C)(C)C)CC4)c(C4CC4)cnc32)cc1

HCID68764342

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a44ebc10fd5a483dbbf19ca0a65baa7b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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