HRID202625

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID11042597

3-(Piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one

C13H17N3O

结构：COC(=O)C(CC(=O)[O-])Cc1cc(Cl)c(N)c(C(F)(F)F)c1

HCID178500563

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)Cc1cc(Cl)c(N)c(C(F)(F)F)c1

HCID68590118

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d748618216b94f10a0270fecf78388c2
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

[B-:23]([F:24])([F:25])([F:26])[F:27].[CH2:55]([N:56]([CH:57]([CH3:58])[CH3:59])[CH:60]([CH3:61])[CH3:62])[CH3:63].[NH2:1][c:2]1[c:3]([Cl:22])[cH:4][c:5]([CH2:6][CH:7]([C:8](=[O:9])[O:10][CH3:11])[CH2:12][C:13](=[O:14])[O-:15])[cH:16][c:17]1[C:18]([F:19])([F:20])[F:21].[NH:64]1[CH2:65][CH2:66][CH:67]([N:70]2[C:71](=[O:80])[NH:72][c:73]3[cH:74][cH:75][cH:76][cH:77][c:78]3[CH2:79]2)[CH2:68][CH2:69]1.[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[OH:45][n:46]1[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[n:53][n:54]1.[n:28]1([O:29][C:30]([N:31]([CH3:32])[CH3:33])=[N+:34]([CH3:35])[CH3:36])[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[NH2:1][c:2]1[c:3]([Cl:22])[cH:4][c:5]([CH2:6][CH:7]([C:8](=[O:9])[O:10][CH3:11])[CH2:12][C:13](=[O:15])[N:64]2[CH2:65][CH2:66][CH:67]([N:70]3[C:71](=[O:80])[NH:72][c:73]4[cH:74][cH:75][cH:76][cH:77][c:78]4[CH2:79]3)[CH2:68][CH2:69]2)[cH:16][c:17]1[C:18]([F:19])([F:20])[F:21]