HRID2350158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6328

Methyl iodide

CH3I

HCID8028

Tetrahydrofuran

C4H8O

HCID3280088

未命名化合物

反应SMILES：CC(C)(O)C(c1cc(F)cc(F)c1)C1CN(C(c2ccc(Cl)cc2)c2cccc(C#N)c2)C1

HCID11340295

未命名化合物

PRODUCTS

产物

反应SMILES：COC(C)(C)C(c1cc(F)cc(F)c1)C1CN(C(c2ccc(Cl)cc2)c2cccc(C#N)c2)C1

HCID178494915

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4d98d093ba6e42f38e98b730fd0c8533
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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