HRID92372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID353083

2-Amino-4,4,4-trifluorobutanoic acid

C4H6F3NO2

HCID2724942

未命名化合物

结构：COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc(C=O)c12

HCID49761613

1-tert-Butyl 3-methyl 4-formyl-1H-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate

C15H16N2O5

PRODUCTS

生成物

结构：COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc(CNC(CC(F)(F)F)C(=O)O)c12

HCID67225075

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84564432fb3c47aa8f16c86ef536f42a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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