HRID198580

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID70133

4-Hydroxy-2-methylacetophenone

C9H10O2

结构：CC(C)(C)OC(=O)N1CCC(n2ncc3c(Cl)ncnc32)CC1

HCID57964905

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1ccc(Oc2ncnc3c2cnn3C2CCN(C(=O)OC(C)(C)C)CC2)cc1C

HCID57965006

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed077f4f60ab40488ca6820ca869f8f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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