HRID302644

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID74091

2-Methyl-1-naphthoic acid

C12H10O2

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)c4c(C)ccc5ccccc45)CC3)C(=O)C2(C)C)cc1OC

HCID67365187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0bb941c3ced4763a124fdd4b6a8ee64
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

[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][c:26]1[c:27]([C:36](=[O:37])[OH:38])[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[cH:34][cH:35]1>>[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:36]([c:27]4[c:26]([CH3:25])[cH:35][cH:34][c:33]5[c:28]4[cH:29][cH:30][cH:31][cH:32]5)=[O:37])[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]