HRID87550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID97478

1-(4-Chlorophenyl)piperazine

C10H13ClN2

HCID86639923

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)n1nc(CCCN2CCN(c3ccc(Cl)cc3)CC2)cc1-c1ccc(F)cc1

HCID25063989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97b6904da83b4b65b9fdd9538743a928
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

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