HRID684100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6328

Methyl iodide

CH3I

反应SMILES：CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1

HCID68516053

未命名化合物

HCID178418778

未命名化合物

PRODUCTS

产物

反应SMILES：COC1(CNC(=O)OC(C)(C)C)CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1

HCID86621261

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1bb98e3d2bf44548ac4d054b17f301fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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