HRID166266

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：COc1ccc(C(=Nc2ccc(-c3noc(C)n3)cc2)c2nn(-c3ccccc3C(=O)O)c(=O)[nH]2)cc1OC

HCID136173738

未命名化合物

PRODUCTS

生成物

HCID136173627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08d73973333146428c67ed6dd17b6ed5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:1][C:2](=[O:3])[OH:4].[CH3:50][OH:51].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH3:5][O:6][c:7]1[cH:8][c:9]([C:15]([c:16]2[n:17][n:18](-[c:22]3[c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][cH:29][cH:30]3)[c:19](=[O:21])[nH:20]2)=[N:31][c:32]2[cH:33][cH:34][c:35](-[c:38]3[n:39][o:40][c:41]([CH3:43])[n:42]3)[cH:36][cH:37]2)[cH:10][cH:11][c:12]1[O:13][CH3:14].[ClH:49].[OH2:52]>>[CH3:5][O:6][c:7]1[cH:8][c:9]([CH:15]([c:16]2[n:17][n:18](-[c:22]3[c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][cH:29][cH:30]3)[c:19](=[O:21])[nH:20]2)[NH:31][c:32]2[cH:33][cH:34][c:35](-[c:38]3[n:39][o:40][c:41]([CH3:43])[n:42]3)[cH:36][cH:37]2)[cH:10][cH:11][c:12]1[O:13][CH3:14]