HRID88425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID130500

O-benzotriazol-1-yl-tetramethyluronium

C11H16N5O+

HCID17985172

1-[(4-Aminoquinazolin-7-yl)methyl]-3,5-dimethylpiperazin-2-one

C15H19N5O

HCID53401827

3-(5-Chlorothiophen-2-yl)prop-2-enoic acid

C7H5ClO2S

PRODUCTS

产物

HCID178430233

1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enoyl]-3,5-dimethylpiperazin-2-one

C22H22ClN5O2S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b14b16981ad94d4b829d56513189d805
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-:22]([F:23])([F:24])([F:25])[F:26].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[Cl:51][c:52]1[cH:53][cH:54][c:55]([CH:57]=[CH:58][C:59](=[O:60])[OH:61])[s:56]1.[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([CH2:12][N:13]3[C:14](=[O:21])[CH:15]([CH3:20])[NH:16][CH:17]([CH3:19])[CH2:18]3)[cH:9][cH:10][c:11]12.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[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>>[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([CH2:12][N:13]3[C:14](=[O:21])[CH:15]([CH3:20])[N:16]([C:59]([CH:58]=[CH:57][c:55]4[cH:54][cH:53][c:52]([Cl:51])[s:56]4)=[O:60])[CH:17]([CH3:19])[CH2:18]3)[cH:9][cH:10][c:11]12