HRID696435

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID3332

Felbinac

C14H12O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID58629081

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)NC(=O)Cc2ccc(-c3ccccc3)cc2)nc1

HCID178490352

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55937edf02d2458380b24bc5390977b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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