HRID1145046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID3947643

2‐{[2‐Chloro‐4‐(trifluoromethyl)phenyl]amino}‐3‐ methylbutanoic acid

C12H13ClF3NO2

HCID20342664

未命名化合物

PRODUCTS

生成物

结构：C#CCN1C(=O)N(COC(=O)C(Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)C(=O)C1C

HCID20342656

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2525d0720a1c41f89642544b565d65e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:57]([Cl:58])[Cl:59].[CH3:33][N:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][n:40]1)[CH3:41].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[CH:42]1([N:43]=[C:44]=[N:45][CH:46]2[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[Cl:14][c:15]1[c:16]([NH:25][CH:26]([CH:27]([CH3:28])[CH3:29])[C:30](=[O:31])[OH:32])[cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]1.[O:1]=[C:2]1[N:3]([CH2:11][C:12]#[CH:13])[CH:4]([CH3:10])[C:5](=[O:9])[N:6]1[CH2:7][OH:8]>>[O:1]=[C:2]1[N:3]([CH2:11][C:12]#[CH:13])[CH:4]([CH3:10])[C:5](=[O:9])[N:6]1[CH2:7][O:8][C:30]([CH:26]([NH:25][c:16]1[c:15]([Cl:14])[cH:20][c:19]([C:21]([F:22])([F:23])[F:24])[cH:18][cH:17]1)[CH:27]([CH3:28])[CH3:29])=[O:31]