HRID176960

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

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID19660

Carbonate

CO3-2

结构：O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(F)(F)CC1

HCID57657613

未命名化合物

结构：CC1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)c3ccncc23)CCN1

HCID68747503

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)c3ccncc23)CCN1C(=O)N1CCC(F)(F)CC1

HCID68749740

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55ba89a9c32e4b8195068f9388b90de7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:53](=[O:54])([O-:55])[O-:56].[CH3:59][N:60]([CH3:61])[c:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1.[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[CH3:6][CH:7]1[CH2:8][N:9]([c:13]2[n:14][n:15][c:16](-[c:23]3[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]3)[c:17]3[c:18]2[cH:19][n:20][cH:21][cH:22]3)[CH2:10][CH2:11][NH:12]1.[F:33][C:34]1([F:52])[CH2:35][CH2:36][N:37]([C:40](=[O:41])[O:42][c:43]2[cH:44][cH:45][c:46]([N+:47]([O-:48])=[O:49])[cH:50][cH:51]2)[CH2:38][CH2:39]1.[K+:57].[K+:58].[O:1]=[CH:2][N:3]([CH3:4])[CH3:5]>>[CH3:6][CH:7]1[CH2:8][N:9]([c:13]2[n:14][n:15][c:16](-[c:23]3[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]3)[c:17]3[c:18]2[cH:19][n:20][cH:21][cH:22]3)[CH2:10][CH2:11][N:12]1[C:40]([N:37]1[CH2:36][CH2:35][C:34]([F:33])([F:52])[CH2:39][CH2:38]1)=[O:41]