HRID1112819

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-

HCID6342

Acetonitrile

C2H3N

结构：CCc1ccccc1Oc1ccccc1C(O)(CCCCOC)C1CCCN(C(=O)OC(C)(C)C)C1

HCID76605235

未命名化合物

PRODUCTS

生成物

结构：CCc1ccccc1Oc1ccccc1C(O)(CCCCOC)C1CCCNC1

HCID178436113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be12d3d84fa548b8b94e9a0673ade03a
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

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