HRID295163

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19960

1-Hexanol, 6-amino-

C6H15NO

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(NCCCCCCO)c23)cc1

HCID69076877

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c615b511c5354e5daf32c31822d007bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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