HRID98614

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID2724942

未命名化合物

HCID4112250

Amino-cyclopropyl-acetic acid

C5H9NO2

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(C(=O)O)C3CC3)c12

HCID76744076

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-090327458b9e4904b8d12c428382b864
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:23](=[O:24])[c:25]1[c:26]2[c:27]([n:28][cH:29][cH:30]1)[n:31]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[cH:32][c:33]2[C:34](=[O:35])[O:36][CH3:37].[Cl:45][CH2:46][Cl:47].[NH2:15][CH:16]([C:17](=[O:18])[OH:19])[CH:20]1[CH2:21][CH2:22]1.[Na+:14]>>[NH:15]([CH:16]([C:17](=[O:18])[OH:19])[CH:20]1[CH2:21][CH2:22]1)[CH2:23][c:25]1[c:26]2[c:27]([n:28][cH:29][cH:30]1)[n:31]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[cH:32][c:33]2[C:34](=[O:35])[O:36][CH3:37]