HRID133923

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22625934

tert-Butyl 2,5-dimethylpiperazine-1-carboxylate

C11H22N2O2

结构：CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(C(=O)c3cnc(Cl)cn3)C4)n[nH]c2c1

HCID178436919

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(C(=O)c3cnc(N5CC(C)NCC5C)cn3)C4)n[nH]c2c1

HCID178436923

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e788387f6c344c649e668634a8a384be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:38]([O:39][C:40](=[O:41])[N:45]1[CH:46]([CH3:52])[CH2:47][NH:48][CH:49]([CH3:51])[CH2:50]1)([CH3:42])([CH3:43])[CH3:44].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:8](=[O:9])[N:10]2[CH2:11][c:12]3[c:13]([nH:16][c:17](-[c:19]4[n:20][nH:21][c:22]5[cH:23][c:24](-[c:28]6[c:29]([CH2:36][CH3:37])[cH:30][c:31]([OH:35])[c:32]([F:34])[cH:33]6)[cH:25][cH:26][c:27]45)[n:18]3)[CH2:14][CH2:15]2)[n:6][cH:7]1>>[c:2]1([N:45]2[CH:46]([CH3:52])[CH2:47][NH:48][CH:49]([CH3:51])[CH2:50]2)[n:3][cH:4][c:5]([C:8](=[O:9])[N:10]2[CH2:11][c:12]3[c:13]([nH:16][c:17](-[c:19]4[n:20][nH:21][c:22]5[cH:23][c:24](-[c:28]6[c:29]([CH2:36][CH3:37])[cH:30][c:31]([OH:35])[c:32]([F:34])[cH:33]6)[cH:25][cH:26][c:27]45)[n:18]3)[CH2:14][CH2:15]2)[n:6][cH:7]1