HRID955775

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID11557508

1-(4-amino-2-methylphenyl)piperidin-2-one

C12H16N2O

HCID58962742

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NC(=O)C(Nc2cccc(C#N)c2)c2ccccc2F)ccc1N1CCCCC1=O

HCID58962746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-772bab05b94a43de9d937215c46c3564
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

[C:8](#[N:9])[c:10]1[cH:11][c:12]([NH:16][CH:17]([C:18](=[O:19])[OH:20])[c:21]2[c:22]([F:27])[cH:23][cH:24][cH:25][cH:26]2)[cH:13][cH:14][cH:15]1.[CH3:1][N:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[CH3:44][N:45]([CH3:46])[CH2:47][CH2:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH3:54].[ClH:43].[NH2:28][c:29]1[cH:30][c:31]([CH3:42])[c:32]([N:35]2[C:36](=[O:41])[CH2:37][CH2:38][CH2:39][CH2:40]2)[cH:33][cH:34]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:55].[OH2:71].[OH:56][c:57]1[c:58]2[n:59][n:60][nH:61][c:62]2[cH:63][cH:64][cH:65]1>>[C:8](#[N:9])[c:10]1[cH:11][c:12]([NH:16][CH:17]([C:18](=[O:20])[NH:28][c:29]2[cH:30][c:31]([CH3:42])[c:32]([N:35]3[C:36](=[O:41])[CH2:37][CH2:38][CH2:39][CH2:40]3)[cH:33][cH:34]2)[c:21]2[c:22]([F:27])[cH:23][cH:24][cH:25][cH:26]2)[cH:13][cH:14][cH:15]1