HRID958296

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID26255

Tetrafluoroborate

BF4-

HCID66724

[1,1'-Biphenyl]-4-carboxylic acid

C13H10O2

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID69252969

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1cccc(C#N)c1)C1CCCN1C(=O)c1ccc(-c2ccccc2)cc1

HCID69255551

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55cafdfe72d248e68ed644956b1ce740
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[B-:44]([F:45])([F:46])([F:47])[F:48].[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]([C:12]#[N:13])[cH:9][cH:10][cH:11]1)[CH:14]1[NH:15][CH2:16][CH2:17][CH2:18]1)=[O:19].[CH3:72][CH2:73][O:74][C:75](=[O:76])[CH3:77].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[ClH:66].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[c:20]1(-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:21][cH:22][c:23]([C:26](=[O:27])[OH:28])[cH:24][cH:25]1.[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]([C:12]#[N:13])[cH:9][cH:10][cH:11]1)[CH:14]1[N:15]([C:26]([c:23]2[cH:22][cH:21][c:20](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:25][cH:24]2)=[O:27])[CH2:16][CH2:17][CH2:18]1)=[O:19]