HRID115048

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8471

Triethylamine

C6H15N

结构：CCOC(=O)c1cn(C2CC2)c2c(F)c(F)c(F)cc2c1=O

HCID535415

BAS 00805195

C15H12F3NO3

HCID11542782

3-methylazetidin-3-ol

C4H9NO

PRODUCTS

生成物

结构：CCOC(=O)c1cn(C2CC2)c2c(F)c(N3CC(C)(O)C3)c(F)cc2c1=O

HCID23051774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bb856183e1e46a88840a6942a122282
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

[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH:1]1([n:4]2[cH:5][c:6]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[c:7](=[O:17])[c:8]3[cH:9][c:10]([F:16])[c:11]([F:15])[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1.[ClH:23].[OH2:43].[OH:24][C:25]1([CH3:29])[CH2:26][NH:27][CH2:28]1.[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1>>[CH:1]1([n:4]2[cH:5][c:6]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[c:7](=[O:17])[c:8]3[cH:9][c:10]([F:16])[c:11]([N:27]4[CH2:26][C:25]([OH:24])([CH3:29])[CH2:28]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1