HRID2343393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

反应SMILES：O=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID136247

3,5-Bis(trifluoromethyl)benzaldehyde

C9H4F6O

HCID2724942

未命名化合物

反应SMILES：CCOC(=O)N1c2cc3c(cc2C(N)CC1C)CCC3

HCID57155777

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)N1c2cc3c(cc2C(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1C)CCC3

HCID73196292

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-41f7269ecb50417484eccd8d76ceb30e
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:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH3:20])[CH2:8][CH:9]([NH2:19])[c:10]2[cH:11][c:12]3[c:13]([cH:14][c:15]21)[CH2:16][CH2:17][CH2:18]3.[CH3:21][C:22](=[O:23])[OH:24].[CH:59]([Cl:60])([Cl:61])[Cl:62].[Cl:55][CH2:56][CH2:57][Cl:58].[F:25][C:26]([c:27]1[cH:28][c:29]([CH:30]=[O:31])[cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]1)([F:39])[F:40].[Na+:54]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH3:20])[CH2:8][CH:9]([NH:19][CH2:30][c:29]2[cH:28][c:27]([C:26]([F:25])([F:39])[F:40])[cH:34][c:33]([C:35]([F:36])([F:37])[F:38])[cH:32]2)[c:10]2[cH:11][c:12]3[c:13]([cH:14][c:15]21)[CH2:16][CH2:17][CH2:18]3