HRID2319259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2760343

4-Phenoxybenzylamine

C13H13NO

结构：Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)O)cc3)c2)o1

HCID11220119

未命名化合物

PRODUCTS

生成物

结构：Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4ccc(Oc5ccccc5)cc4)cc3)c2)o1

HCID10116392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a39a636ca5e48cfb50593e7cc861b9e
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][c:2]1[c:3](-[c:14]2[cH:15][cH:16][c:17]([C:20](=[O:21])[OH:22])[cH:18][cH:19]2)[cH:4][c:5](-[c:8]2[o:9][c:10]([CH3:13])[n:11][n:12]2)[cH:6][cH:7]1.[O:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[c:30]1[cH:31][cH:32][c:33]([CH2:34][NH2:35])[cH:36][cH:37]1>>[CH3:1][c:2]1[c:3](-[c:14]2[cH:15][cH:16][c:17]([C:20](=[O:21])[NH:35][CH2:34][c:33]3[cH:32][cH:31][c:30]([O:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[cH:37][cH:36]3)[cH:18][cH:19]2)[cH:4][c:5](-[c:8]2[o:9][c:10]([CH3:13])[n:11][n:12]2)[cH:6][cH:7]1