HRID665972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8857

Ethyl acetate

C4H8O2

结构：CCOC(=O)C(C)(C)Oc1ccc(OCCc2nc(-c3cccc(-c4ccc(C=O)cc4)c3)oc2C)cc1

HCID86587406

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(-c2cccc(-c3ccc(C=O)cc3)c2)nc1CCOc1ccc(OC(C)(C)C(=O)O)cc1

HCID22633430

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76b77c3b86e043718e9a8d33a0ccd989
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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