HRID116428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

结构：CCc1ccccc1-c1oc2ncnc(NCCCCCC(=O)OC)c2c1-c1ccc(OC)cc1

HCID58016850

未命名化合物

PRODUCTS

生成物

结构：CCc1ccccc1-c1oc2ncnc(NCCCCCC(=O)O)c2c1-c1ccc(OC)cc1

HCID58016766

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67995f7533724c158210ac6617cbab56
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]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][NH:9][c:10]1[c:11]2[c:12]([n:13][cH:14][n:15]1)[o:16][c:17](-[c:27]1[c:28]([CH2:33][CH3:34])[cH:29][cH:30][cH:31][cH:32]1)[c:18]2-[c:19]1[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]1)=[O:35].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[ClH:38].[Na+:37].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH-:36]>>[O:2]=[C:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][NH:9][c:10]1[c:11]2[c:12]([n:13][cH:14][n:15]1)[o:16][c:17](-[c:27]1[c:28]([CH2:33][CH3:34])[cH:29][cH:30][cH:31][cH:32]1)[c:18]2-[c:19]1[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]1)[OH:35]