HRID691108

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

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

HCID67225079

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc(CNC(C(=O)NC3CCCC3)C(C)(C)O)c12

HCID67224591

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e841b255853743d0ba25dae701f90871
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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:29](=[O:30])[c:31]1[c:32]2[c:33]([n:34][cH:35][cH:36]1)[n:37]([C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[cH:38][c:39]2[C:40](=[O:41])[O:42][CH3:43].[NH2:15][CH:16]([C:17](=[O:18])[NH:19][CH:20]1[CH2:21][CH2:22][CH2:23][CH2:24]1)[C:25]([CH3:26])([CH3:27])[OH:28].[Na+:14]>>[NH:15]([CH:16]([C:17](=[O:18])[NH:19][CH:20]1[CH2:21][CH2:22][CH2:23][CH2:24]1)[C:25]([CH3:26])([CH3:27])[OH:28])[CH2:29][c:31]1[c:32]2[c:33]([n:34][cH:35][cH:36]1)[n:37]([C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[cH:38][c:39]2[C:40](=[O:41])[O:42][CH3:43]