HRID1115702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID61055

4-Morpholinepropanamine

C7H16N2O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cc1cc(-c2cc(-c3ccc(C(=O)O)cc3)[nH]c(=O)n2)ccc1O

HCID135900181

4-[6-(4-Hydroxy-3-methylphenyl)-2-oxo-2,3-dihydropyrimidin-4-yl]benzoic acid

C18H14N2O4

PRODUCTS

生成物

结构：Cc1cc(-c2cc(-c3ccc(C(=O)NCCCN4CCOCC4)cc3)[nH]c(=O)n2)ccc1O

HCID135900182

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-822262f27f204366a1468b0ba6d296b8
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

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