HRID283146

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11344187

2-(4-formylphenyl)acetic Acid

C9H8O3

结构：CCNc1cc(OC)c(OC)cc1C1CCc2cc(OC(=O)C(C)(C)C)ccc2C1

HCID57933854

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NCCCc2ccc(CC(=O)O)cc2)c(C2CCc3cc(OC(=O)C(C)(C)C)ccc3C2)cc1OC

HCID178493133

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07da9b9370a1401581e23c433bc2cc95
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

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