HRID1545512

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID78230

4-Isopropylphenylacetic acid

C11H14O2

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(C(C)C)cc2)nc1

HCID178490353

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0e20fe7b344486181377b99f75d0314
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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