HRID120383

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID75260

4-(4-Fluorophenyl)piperazine

C10H13FN2

HCID81531

Diisopropylethylamine

C8H19N

HCID18753216

未命名化合物

PRODUCTS

生成物

结构：N#Cc1c(NCCO)nc(NCc2cccnc2)nc1N1CCN(c2ccc(F)cc2)CC1

HCID18753288

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8cffb2f6dcd4dc490891e1a46bdba23
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

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