HRID1202240

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CC(C)OCc1nc(C(C)(C)O)c(C(=O)OC(C)C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178459022

未命名化合物

PRODUCTS

生成物

结构：CC(C)OCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178459026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49a957044b594188b6dfe6d5a754b187
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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