HRID2310907

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7294

Methyl acrylate

C4H6O2

HCID8471

Triethylamine

C6H15N

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID59783468

(Z)-8-bromo-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one

C15H11BrN2O

PRODUCTS

生成物

结构：COC(=O)C=Cc1ccc2c(c1)NC(=O)CN=C2c1ccccc1

HCID67006866

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ed23e714c9c464792f66dfe301f0666
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

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