HRID140763

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID2782828

2-Fluoroisobutyric acid

C4H7FO2

结构：NCc1ccc(Cl)c(Nc2nc3cc(C(=O)NC4CCC(C(F)(F)F)CC4)c(OCC(F)F)nc3[nH]2)c1Cl

HCID178509820

未命名化合物

PRODUCTS

生成物

结构：CC(C)(F)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)NC4CCC(C(F)(F)F)CC4)c(OCC(F)F)nc3[nH]2)c1Cl

HCID178455688

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8b928acfd414514bf71be3a508b7209
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

[B-:1]([F:2])([F:3])([F:4])[F:5].[CH:61]([N:62]([CH2:63][CH3:64])[CH:65]([CH3:66])[CH3:67])([CH3:68])[CH3:69].[Cl:23][c:24]1[c:25]([CH2:26][NH2:27])[cH:28][cH:29][c:30]([Cl:60])[c:31]1[NH:32][c:33]1[n:34][c:35]2[c:36]([n:37][c:38]([O:54][CH2:55][CH:56]([F:57])[F:58])[c:39]([C:41]([NH:42][CH:43]3[CH2:44][CH2:45][CH:46]([C:49]([F:50])([F:51])[F:52])[CH2:47][CH2:48]3)=[O:53])[cH:40]2)[nH:59]1.[F:70][C:71]([C:72](=[O:73])[OH:74])([CH3:75])[CH3:76].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[n:6]1([O:7][C:8]([N:9]([CH3:10])[CH3:11])=[N+:12]([CH3:13])[CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[n:21][n:22]1>>[Cl:23][c:24]1[c:25]([CH2:26][NH:27][C:72]([C:71]([F:70])([CH3:75])[CH3:76])=[O:73])[cH:28][cH:29][c:30]([Cl:60])[c:31]1[NH:32][c:33]1[n:34][c:35]2[c:36]([n:37][c:38]([O:54][CH2:55][CH:56]([F:57])[F:58])[c:39]([C:41]([NH:42][CH:43]3[CH2:44][CH2:45][CH:46]([C:49]([F:50])([F:51])[F:52])[CH2:47][CH2:48]3)=[O:53])[cH:40]2)[nH:59]1