HRID2149455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID19660

Carbonate

CO3-2

HCID136247

3,5-Bis(trifluoromethyl)benzaldehyde

C9H4F6O

HCID2724942

未命名化合物

HCID54446151

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N1c2cc(OC)c(OC)cc2C(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1C

HCID56994702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d06a3be13234cce885b8242b14b8e71
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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].[C:56](=[O:57])([O-:58])[O-:59].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH3:21])[CH2:8][CH:9]([NH2:20])[c:10]2[cH:11][c:12]([O:18][CH3:19])[c:13]([O:16][CH3:17])[cH:14][c:15]21.[CH3:22][C:23](=[O:24])[OH:25].[Cl:62][CH:63]([Cl:64])[CH3:65].[F:26][C:27]([c:28]1[cH:29][c:30]([CH:31]=[O:32])[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]1)([F:40])[F:41].[K+:60].[K+:61].[Na+:55].[OH2:66]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH3:21])[CH2:8][CH:9]([NH:20][CH2:31][c:30]2[cH:29][c:28]([C:27]([F:26])([F:40])[F:41])[cH:35][c:34]([C:36]([F:37])([F:38])[F:39])[cH:33]2)[c:10]2[cH:11][c:12]([O:18][CH3:19])[c:13]([O:16][CH3:17])[cH:14][c:15]21