HRID145562

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2783388

6-(trifluoromethyl)pyridin-3-ol

C6H4F3NO

结构：CC(C)(C)OC(=O)N1CCC(n2ncc3c(Cl)ncnc32)CC1

HCID57964905

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(n2ncc3c(Oc4ccc(C(F)(F)F)nc4)ncnc32)CC1

HCID57965033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e8e35e5610f48dc9640d63cf54d9adc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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