HRID684655

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID498716

未命名化合物

HCID10536169

未命名化合物

HCID18922371

Methyl 3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxylate

C13H16FNO2

PRODUCTS

产物

HCID44213948

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2d4a524eef8c4616bd24972edd81c640
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[C:33]([BH3-:34])#[N:35].[CH3:18][O:19][c:20]1[c:21]([CH:22]=[O:23])[cH:24][c:25](-[n:28]2[n:29][n:30][n:31][cH:32]2)[cH:26][cH:27]1.[CH3:39][OH:40].[CH3:42][C:43](=[O:44])[OH:45].[NH2:1][CH:2]1[CH:3]([c:11]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)[CH:4]([C:7](=[O:8])[O:9][CH3:10])[CH2:5][CH2:6]1.[Na+:36].[Na+:38].[OH-:37].[OH2:41]>>[NH:1]([CH:2]1[CH:3]([c:11]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)[CH:4]([C:7](=[O:8])[O:9][CH3:10])[CH2:5][CH2:6]1)[CH2:22][c:21]1[c:20]([O:19][CH3:18])[cH:27][cH:26][c:25](-[n:28]2[n:29][n:30][n:31][cH:32]2)[cH:24]1