HRID2331050

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID522695

4-(Dimethylamino)-1-naphthoic acid

C13H13NO2

结构：COc1ccc(C2=NN(C3CCNCC3)C(=O)C2(C)C)cc1OC

HCID66616407

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2=NN(C3CCN(C(=O)c4ccc(N(C)C)c5ccccc45)CC3)C(=O)C2(C)C)cc1OC

HCID67363458

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-966f93ef543c436b8a3db4c8504255ea
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:11]2=[N:15][N:14]([CH:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[C:13](=[O:22])[C:12]2([CH3:23])[CH3:24])[cH:6][cH:7][c:8]1[O:9][CH3:10].[CH3:25][N:26]([c:27]1[cH:28][cH:29][c:30]([C:37](=[O:38])[OH:39])[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]12)[CH3:40]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]2=[N:15][N:14]([CH:16]3[CH2:17][CH2:18][N:19]([C:37]([c:30]4[cH:29][cH:28][c:27]([N:26]([CH3:25])[CH3:40])[c:36]5[c:31]4[cH:32][cH:33][cH:34][cH:35]5)=[O:38])[CH2:20][CH2:21]3)[C:13](=[O:22])[C:12]2([CH3:23])[CH3:24])[cH:6][cH:7][c:8]1[O:9][CH3:10]