HRID1152387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID78230

4-Isopropylphenylacetic acid

C11H14O2

HCID59551734

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(C3CCN(C(=O)Cc4ccc(C(C)C)cc4)CC3)c2cc1OC

HCID58770713

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52324c9e4e164d6c9c8ed0af9be57500
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:14][O:15][c:16]1[cH:17][c:18]2[c:19]([CH:28]3[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]3)[n:20][cH:21][n:22][c:23]2[cH:24][c:25]1[O:26][CH3:27].[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.[Cl:34][CH2:35][Cl:36].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH2:10][C:11](=[O:13])[N:31]2[CH2:30][CH2:29][CH:28]([c:19]3[c:18]4[cH:17][c:16]([O:15][CH3:14])[c:25]([O:26][CH3:27])[cH:24][c:23]4[n:22][cH:21][n:20]3)[CH2:33][CH2:32]2)[cH:8][cH:9]1