HRID2348996

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11773

Triphenylarsine

C18H15As

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：CC(C)(C)OC(=O)N1CC=[C]([Sn]([CH3])([CH3])[CH3])CC1

HCID22022989

未命名化合物

结构：CC(C)(C)OC(=O)N(CC1CC(c2ccc(I)c(F)c2)=NO1)c1ccon1

HCID69521876

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC=C(c2ccc(C3=NOC(CN(C(=O)OC(C)(C)C)c4ccon4)C3)cc2F)CC1

HCID22022972

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e13da5611e0a4863a5e5de559264f866
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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