HRID146583

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

3 次

HCID19660

Carbonate

CO3-2

HCID2724942

未命名化合物

HCID3729155

4-(4-TRIFLUOROMETHYLPHENYL)BENZYLAMINE

C14H12F3N

HCID59264612

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)N1CCC(NCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1

HCID59264610

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30b7e0ba7e0b4b1eb5a50cbda69726c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH3:1][C:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])([CH3:8])[N:9]1[CH2:10][CH2:11][C:12](=[O:15])[CH2:13][CH2:14]1.[CH3:34][C:35](=[O:36])[OH:37].[F:16][C:17]([c:18]1[cH:19][cH:20][c:21](-[c:24]2[cH:25][cH:26][c:27]([CH2:30][NH2:31])[cH:28][cH:29]2)[cH:22][cH:23]1)([F:32])[F:33].[Na+:51].[Na+:52].[Na+:53].[O-:54][C:55](=[O:56])[O-:57]>>[CH3:1][C:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])([CH3:8])[N:9]1[CH2:10][CH2:11][CH:12]([NH:31][CH2:30][c:27]2[cH:26][cH:25][c:24](-[c:21]3[cH:20][cH:19][c:18]([C:17]([F:16])([F:32])[F:33])[cH:23][cH:22]3)[cH:29][cH:28]2)[CH2:13][CH2:14]1