HRID199503

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID152932

1-(Bis(4-fluorophenyl)methyl)piperazine

C17H18F2N2

HCID86639921

未命名化合物

PRODUCTS

生成物

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

HCID68557282

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59b8c6f0642b4eb88e5323b2ad917124
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

[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]([Cl:16])[cH:14][cH:15]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[F:21][c:22]1[cH:23][cH:24][c:25]([CH:28]([N:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[c:35]2[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]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:32]2[CH2:31][CH2:30][N:29]([CH:28]([c:25]3[cH:24][cH:23][c:22]([F:21])[cH:27][cH:26]3)[c:35]3[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]3)[CH2:34][CH2:33]2)[cH:8][c:9]1-[c:10]1[cH:11][cH:12][c:13]([Cl:16])[cH:14][cH:15]1