HRID2143260

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID7915

Isopropyl acetate

C5H10O2

结构：CC(C)(C)OC(=O)N1CCC(Nc2cccc3cnccc23)C1

HCID23079381

Tert-butyl 3-(isoquinolin-5-ylamino)pyrrolidine-1-carboxylate

C18H23N3O2

结构：O=C(OC(C(=O)O)(C(=O)c1ccccc1)C(O)C(=O)O)c1ccccc1

HCID53442681

2-Benzoyl-2-(benzoyloxy)-3-hydroxybutanedioic acid

C18H14O8

PRODUCTS

生成物

HCID57936477

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c22cf1b8bde43ed89a3fbe415419ca9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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