HRID1118386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

结构：COC(=O)c1cc(Oc2cnc(C(=O)N(C)C)cn2)cc(OC(C)COC(F)F)c1

HCID67487905

未命名化合物

PRODUCTS

生成物

结构：CC(COC(F)F)Oc1cc(Oc2cnc(C(=O)N(C)C)cn2)cc(C(=O)O)c1

HCID178459230

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8a3bf74e5f54111b64e2b7a7abe7d52
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

[CH3:33][C:34](=[O:35])[OH:36].[CH3:39][N:40]1[CH2:41][CH2:42][CH2:43][C:44]1=[O:45].[ClH:37].[F:1][CH:2]([O:3][CH2:4][CH:5]([CH3:6])[O:7][c:8]1[cH:9][c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][c:16]([O:18][c:19]2[n:20][cH:21][c:22]([C:25]([N:26]([CH3:27])[CH3:28])=[O:29])[n:23][cH:24]2)[cH:17]1)[F:30].[Na+:32].[OH-:31].[OH2:38]>>[F:1][CH:2]([O:3][CH2:4][CH:5]([CH3:6])[O:7][c:8]1[cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:15][c:16]([O:18][c:19]2[n:20][cH:21][c:22]([C:25]([N:26]([CH3:27])[CH3:28])=[O:29])[n:23][cH:24]2)[cH:17]1)[F:30]