HRID933411

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID2724942

未命名化合物

HCID2736672

2-Chloro-3-(trifluoromethyl)benzaldehyde

C8H4ClF3O

反应SMILES：COC(=O)Cc1cccc(OCCC(C)NCC(C)c2ccccc2)c1

HCID69254643

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)Cc1cccc(OCCC(C)N(Cc2cccc(C(F)(F)F)c2Cl)CC(C)c2ccccc2)c1

HCID69252470

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6e5093b1dd314b199b7ec04e062412b5
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([O:11][CH2:12][CH2:13][CH:14]([CH3:15])[NH:16][CH2:17][CH:18]([CH3:19])[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:8][cH:9][cH:10]1)=[O:26].[CH3:27][C:28](=[O:29])[OH:30].[Cl:31][c:32]1[c:33]([CH:34]=[O:35])[cH:36][cH:37][cH:38][c:39]1[C:40]([F:41])([F:42])[F:43].[Cl:58][CH2:59][Cl:60].[Na+:57].[OH2:61]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([O:11][CH2:12][CH2:13][CH:14]([CH3:15])[N:16]([CH2:17][CH:18]([CH3:19])[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[CH2:34][c:33]2[c:32]([Cl:31])[c:39]([C:40]([F:41])([F:42])[F:43])[cH:38][cH:37][cH:36]2)[cH:8][cH:9][cH:10]1)=[O:26]