HRID305143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID28486

Lithium ion

Li+

结构：CCOC(=O)C(Cc1ccc(OCC(=O)N(CC)Cc2ccc(C(F)(F)F)cc2)cc1)OCC

HCID178471059

未命名化合物

PRODUCTS

生成物

结构：CCOC(Cc1ccc(OCC(=O)N(CC)Cc2ccc(C(F)(F)F)cc2)cc1)C(=O)O

HCID10321663

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83ca92b55b3b4fe89b2b4e822b11762a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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][c:19]2[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)[CH2:29][CH3:30])[cH:11][cH:12]1)[O:31][CH2:32][CH3:33])=[O:34].[CH3:36][C:37]#[N:38].[ClH:35].[Li+:41].[OH-:40].[OH2:39]>>[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][c:19]2[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)[CH2:29][CH3:30])[cH:11][cH:12]1)[O:31][CH2:32][CH3:33])[OH:34]