HRID2332105

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1cc(-c2cc(CN3CCNCC3)ccn2)cc(OC)c1OC

HCID12021155

未命名化合物

HCID12043485

2-(3,4,5-trimethoxyphenyl)isonicotinic acid

C15H15NO5

PRODUCTS

生成物

结构：COc1cc(-c2cc(CN3CCN(C(=O)c4ccnc(-c5cc(OC)c(OC)c(OC)c5)c4)CC3)ccn2)cc(OC)c1OC

HCID18546840

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36d3137fd14c4e08918c445818ea8d1f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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