HRID1119843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID141681

2,2,2-Trifluoroethyl formate

C3H3F3O2

结构：CCOc1cc(C(CCNO)N2Cc3cccc(NC(C)=O)c3C2=O)ccc1OC

HCID22387254

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(CCN(O)C=O)N2Cc3cccc(NC(C)=O)c3C2=O)ccc1OC

HCID22387263

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36fb439f46924700a09abde4dbedaa7d
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

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