HRID172850

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9086

3-Aminopropanol

C3H9NO

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1ccc(-c2c(-c3ccccc3)oc3ncnc(Cl)c23)cc1

HCID58016815

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2c(-c3ccccc3)oc3ncnc(NCCCO)c23)cc1

HCID58016823

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6559b182c9f443d79a260e9b54869540
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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