HRID1114348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID53395468

5-Bromo-4-methylpyridine-2-carbonitrile

C7H5BrN2

结构：COC1CCC(CN2C(=O)CNc3nc[c]([Sn]([CH3])([CH3])[CH3])nc32)CC1

HCID66607424

未命名化合物

PRODUCTS

生成物

结构：COC1CCC(CN2C(=O)CNc3ncc(-c4cnc(C#N)cc4C)nc32)CC1

HCID66607737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be946c7e8de840f7a8bd1eb9520d1779
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:25][c:26]1[c:27]([CH3:34])[cH:28][c:29]([C:32]#[N:33])[n:30][cH:31]1.[CH3:1][O:2][CH:3]1[CH2:4][CH2:5][CH:6]([CH2:9][N:10]2[C:11](=[O:24])[CH2:12][NH:13][c:14]3[c:15]2[n:16][c:17]([Sn:20]([CH3:21])([CH3:22])[CH3:23])[cH:18][n:19]3)[CH2:7][CH2:8]1.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:98][N:99]([CH3:100])[CH:101]=[O:102].[O:44]=[C:45]([CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[O:62]=[C:63]([CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[Pd:42].[Pd:43]>>[CH3:1][O:2][CH:3]1[CH2:4][CH2:5][CH:6]([CH2:9][N:10]2[C:11](=[O:24])[CH2:12][NH:13][c:14]3[c:15]2[n:16][c:17](-[c:26]2[c:27]([CH3:34])[cH:28][c:29]([C:32]#[N:33])[n:30][cH:31]2)[cH:18][n:19]3)[CH2:7][CH2:8]1