HRID2338064

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID89334

Ethyl 2-formylcyclopropanecarboxylate

C7H10O3

HCID2724942

未命名化合物

HCID11452740

Methyl 5-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2-fluorobenzoate

C27H26FNO2

PRODUCTS

产物

HCID57554524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-65f51fd587514f8999752d6f423457b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][NH:18][c:19]3[cH:20][cH:21][c:22]([F:29])[c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28]3)[cH:30][cH:31]2)[cH:9][cH:10]1.[CH2:32]([CH3:33])[O:34][C:35](=[O:36])[CH:37]1[CH:38]([CH:40]=[O:41])[CH2:39]1.[Na+:59].[O-:55][C:56]([OH:57])=[O:58]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][N:18]([c:19]3[cH:20][cH:21][c:22]([F:29])[c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28]3)[CH2:40][CH:38]3[CH:37]([C:35]([O:34][CH2:32][CH3:33])=[O:36])[CH2:39]3)[cH:30][cH:31]2)[cH:9][cH:10]1