HRID202924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID2724942

未命名化合物

HCID4353833

2-(3,5-dimethylphenyl)pyrrolidine

C12H17N

HCID57352536

3-Fluoro-4-(4-formylphenoxy)benzamide

C14H10FNO3

PRODUCTS

生成物

结构：Cc1cc(C)cc(C2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3F)cc2)c1

HCID44256416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2aca4b73d214462886ea4c54060913e
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:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[C:47]([OH:48])(=[O:49])[CH3:50].[CH3:20][c:21]1[cH:22][c:23]([CH:28]2[NH:29][CH2:30][CH2:31][CH2:32]2)[cH:24][c:25]([CH3:27])[cH:26]1.[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH2:7])[cH:8][cH:9][c:10]1[O:11][c:12]1[cH:13][cH:14][c:15]([CH:18]=[O:19])[cH:16][cH:17]1.[Na+:46]>>[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH2:7])[cH:8][cH:9][c:10]1[O:11][c:12]1[cH:13][cH:14][c:15]([CH2:18][N:29]2[CH:28]([c:23]3[cH:22][c:21]([CH3:20])[cH:26][c:25]([CH3:27])[cH:24]3)[CH2:32][CH2:31][CH2:30]2)[cH:16][cH:17]1