HRID1220245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7021

3-(3,4,5-Trimethoxyphenyl)-2-propenoic acid

C12H14O5

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

HCID12021155

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C=CC(=O)N2CCN(Cc3ccnc(-c4cc(OC)c(OC)c(OC)c4)c3)CC2)cc(OC)c1OC

HCID69183042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4233b7aee6114f35b037188768d33210
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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]([CH:31]=[CH:32][C:33](=[O:34])[OH:35])[cH:36][c:37]([O:41][CH3:42])[c:38]1[O:39][CH3:40]>>[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:33]([CH:32]=[CH:31][c:30]4[cH:29][c:28]([O:27][CH3:26])[c:38]([O:39][CH3:40])[c:37]([O:41][CH3:42])[cH:36]4)=[O:34])[CH2:24][CH2:25]3)[cH:18]2)[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10]