HRID2158127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2782944

3-Fluoro-4-hydroxybenzonitrile

C7H4FNO

结构：CC(C)OC(=O)N1CCC(N2CCOc3c(Cl)ncnc32)CC1

HCID58293615

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)N1CCC(N2CCOc3c(Oc4ccc(C#N)cc4F)ncnc32)CC1

HCID67039056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7a161177afb4186bea4a65d313627ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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