HRID99034

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID6342

Acetonitrile

C2H3N

HCID28486

Lithium ion

Li+

结构：CCCCN(Cc1cccc(OC)c1OC)C(=O)COc1ccc(CC(OCC)C(=O)OCC)cc1

HCID178448956

未命名化合物

PRODUCTS

生成物

结构：CCCCN(Cc1cccc(OC)c1OC)C(=O)COc1ccc(CC(OCC)C(=O)O)cc1

HCID178448955

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8aeb9c4fb74441c4bb6782f820be8d29
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

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