HRID198891

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID23994

Zinc

反应SMILES：CC(C)(C)C1CCC(Oc2ccc3cc(C(CCC(=O)O)[N+](=O)[O-])ccc3c2C(F)(F)F)CC1

HCID86642900

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)C1CCC(Oc2ccc3cc(C(N)CCC(=O)O)ccc3c2C(F)(F)F)CC1

HCID67413183

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a507b4b8b6c14b1c97e3c4252c8261b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([O:11][c:12]2[c:13]([C:31]([F:32])([F:33])[F:34])[c:14]3[cH:15][cH:16][c:17]([CH:22]([CH2:23][CH2:24][C:25](=[O:26])[OH:27])[N+:28]([O-:29])=[O:30])[cH:18][c:19]3[cH:20][cH:21]2)[CH2:9][CH2:10]1.[CH3:35][C:36](=[O:37])[OH:38].[Zn:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([O:11][c:12]2[c:13]([C:31]([F:32])([F:33])[F:34])[c:14]3[cH:15][cH:16][c:17]([CH:22]([CH2:23][CH2:24][C:25](=[O:26])[OH:27])[NH2:28])[cH:18][c:19]3[cH:20][cH:21]2)[CH2:9][CH2:10]1