HRID1122855

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID10219638

di-tert-butylcarbonate

C9H18O3

HCID157458076

未命名化合物

PRODUCTS

生成物

结构：CC(O)C(NC(=O)OC(C)(C)C)c1cc(F)c(F)c(F)c1

HCID178468302

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ebb1a00b92943ee86157dcdf22c0dd6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:41]([CH3:42])([CH3:43])([CH3:44])[O:45][C:46]([O:47][C:49]([CH3:50])([CH3:51])[CH3:52])=[O:48].[CH2:20]1[O:21][CH2:22][CH2:23][CH2:24]1.[N:25](=[N+:26]=[N-:27])[CH:28]([CH:29]([CH3:30])[OH:31])[c:32]1[cH:33][c:34]([F:40])[c:35]([F:39])[c:36]([F:38])[cH:37]1.[OH2:53].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[NH:25]([CH:28]([CH:29]([CH3:30])[OH:31])[c:32]1[cH:33][c:34]([F:40])[c:35]([F:39])[c:36]([F:38])[cH:37]1)[C:46]([O:45][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:47]