HRID1126653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：COC(=O)CCc1cc(C)c(-c2nc3ccc(C(=O)Nc4ccc(C(C)(C)C)cc4)cc3[nH]2)c(C)c1

HCID66965641

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CCC(=O)O)cc(C)c1-c1nc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2[nH]1

HCID60150582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c367ee44a7d4cada1fcff5eb3596ca6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][c:8]([CH3:35])[c:9](-[c:13]2[n:14][c:15]3[c:16]([nH:17]2)[cH:18][c:19]([C:22]([NH:23][c:24]2[cH:25][cH:26][c:27]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:28][cH:29]2)=[O:34])[cH:20][cH:21]3)[c:10]([CH3:12])[cH:11]1)=[O:36].[CH3:40][OH:41].[ClH:39].[Na+:38].[OH-:37]>>[O:2]=[C:3]([CH2:4][CH2:5][c:6]1[cH:7][c:8]([CH3:35])[c:9](-[c:13]2[n:14][c:15]3[c:16]([nH:17]2)[cH:18][c:19]([C:22]([NH:23][c:24]2[cH:25][cH:26][c:27]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:28][cH:29]2)=[O:34])[cH:20][cH:21]3)[c:10]([CH3:12])[cH:11]1)[OH:36]