HRID116354

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7052

2,4-Dimethoxybenzoic acid

C9H10O4

结构：COc1ccc(C2=NN(C3CCNCC3)C(=O)C2(C)C)c2c1OC(C)(C)C2

HCID66616591

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)N2CCC(N3N=C(c4ccc(OC)c5c4CC(C)(C)O5)C(C)(C)C3=O)CC2)c(OC)c1

HCID67363924

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f292b7c3f94452fa5fe01f83878e188
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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