HRID1211318

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID83795

1-Acetylpiperazine

C6H12N2O

结构：FC(F)c1nc2ccccc2n1-c1nc(Cl)nc(N2CCOCC2)n1

HCID22036872

1-[4-Chloro-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-2-(difluoromethyl)-1H-benzimidazole

C15H13ClF2N6O

PRODUCTS

生成物

结构：CC(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1

HCID11955205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7701fc2974d4cee9996950811da10ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:26]([CH3:27])(=[O:28])[N:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1.[C:35](=[O:36])([O-:37])[O-:38].[Cl:1][c:2]1[n:3][c:4]([N:20]2[CH2:21][CH2:22][O:23][CH2:24][CH2:25]2)[n:5][c:6](-[n:8]2[c:9]([CH:17]([F:18])[F:19])[n:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1.[K+:39].[K+:40].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:46]>>[c:2]1([N:32]2[CH2:31][CH2:30][N:29]([C:26]([CH3:27])=[O:28])[CH2:34][CH2:33]2)[n:3][c:4]([N:20]2[CH2:21][CH2:22][O:23][CH2:24][CH2:25]2)[n:5][c:6](-[n:8]2[c:9]([CH:17]([F:18])[F:19])[n:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1