HRID2317165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID57642792

1-(4-Chloro-2-fluoro-5-methoxyphenyl)piperazine

C11H14ClFN2O

HCID136079754

4-Amino-3-(1H-imidazol-2-yl)-1H-pyrazolo[3,4-d]pyrimidine-1-acetic acid

C10H9N7O2

PRODUCTS

生成物

结构：COc1cc(N2CCN(C(=O)Cn3nc(-c4ncc[nH]4)c4c(N)ncnc43)CC2)c(F)cc1Cl

HCID135938490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-988d4b009e454040be407ac206482ed1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:3][c:4]1[cH:5][c:6]([F:18])[c:7]([N:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[cH:8][c:9]1[O:10][CH3:11].[ClH:1].[ClH:2].[NH2:19][c:20]1[c:21]2[c:22]([n:23][cH:24][n:25]1)[n:26]([CH2:34][C:35](=[O:36])[OH:37])[n:27][c:28]2-[c:29]1[nH:30][cH:31][cH:32][n:33]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[Cl:3][c:4]1[cH:5][c:6]([F:18])[c:7]([N:12]2[CH2:13][CH2:14][N:15]([C:35]([CH2:34][n:26]3[c:22]4[c:21]([c:20]([NH2:19])[n:25][cH:24][n:23]4)[c:28](-[c:29]4[n:30][cH:31][cH:32][nH:33]4)[n:27]3)=[O:36])[CH2:16][CH2:17]2)[cH:8][c:9]1[O:10][CH3:11]