HRID1120133

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID137254

1-Methyl-3-aminopyrazole

C4H7N3

HCID53401103

3-(Benzyloxy)-5-[(propan-2-yl)oxy]benzoic acid

C17H18O4

PRODUCTS

生成物

结构：CC(C)Oc1cc(OCc2ccccc2)cc(C(=O)Nc2ccn(C)n2)c1

HCID53629625

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fabc92d8847e4c18889b93fe2237bbf1
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

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