HRID318256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID21413

Quinoline, 3-bromo-

C9H6BrN

HCID375613

未命名化合物

HCID178461726

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)OC(C)(C)C)C(=O)c1cnc2ccccc2c1

HCID66687650

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1582020fdab845ddbff0e6f85e8e7b49
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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