HRID85827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID130500

O-benzotriazol-1-yl-tetramethyluronium

C11H16N5O+

HCID21102207

未命名化合物

HCID178500563

未命名化合物

PRODUCTS

产物

HCID69071696

Methyl 2-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-[4-(6-hydroxy-2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-4-oxobutanoate

C26H28ClF3N4O5

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-62dc767848744652804a482aff5ee5cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[B-:23]([F:24])([F:25])([F:26])[F:27].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[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].[Na+:74].[O-:70][C:71]([OH:72])=[O:73].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH:52][c:53]1[cH:54][c:55]2[c:60]([cH:61][cH:62]1)[NH:59][C:58](=[O:63])[N:57]([CH:64]1[CH2:65][CH2:66][NH:67][CH2:68][CH2:69]1)[CH2:56]2.[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:67]2[CH2:66][CH2:65][CH:64]([N:57]3[CH2:56][c:55]4[cH:54][c:53]([OH:52])[cH:62][cH:61][c:60]4[NH:59][C:58]3=[O:63])[CH2:69][CH2:68]2)[cH:16][c:17]1[C:18]([F:19])([F:20])[F:21]