HRID200216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID26255

Tetrafluoroborate

BF4-

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-])Cc1ccc(Cl)c(C(F)(F)F)c1

HCID178500558

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)Cc1ccc(Cl)c(C(F)(F)F)c1

HCID68589951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f9b092c50fe4195ac10e501eb164e67
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-:22]([F:23])([F:24])([F:25])[F:26].[CH2:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH:49]([CH3:50])[CH3:51])[CH3:52].[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[Cl:1][c:2]1[c:3]([C:18]([F:19])([F:20])[F:21])[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][cH:17]1.[NH:53]1[CH2:54][CH2:55][CH:56]([N:59]2[C:60](=[O:69])[NH:61][c:62]3[cH:63][cH:64][cH:65][cH:66][c:67]3[CH2:68]2)[CH2:57][CH2:58]1.[OH2:75].[n:27]1([O:28][C:29]([N:30]([CH3:31])[CH3:32])=[N+:33]([CH3:34])[CH3:35])[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[Cl:1][c:2]1[c:3]([C:18]([F:19])([F:20])[F:21])[cH:4][c:5]([CH2:6][CH:7]([C:8](=[O:9])[O:10][CH3:11])[CH2:12][C:13](=[O:15])[N:53]2[CH2:54][CH2:55][CH:56]([N:59]3[C:60](=[O:69])[NH:61][c:62]4[cH:63][cH:64][cH:65][cH:66][c:67]4[CH2:68]3)[CH2:57][CH2:58]2)[cH:16][cH:17]1