HRID146477

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID11737525

Tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate

C14H22N4O2

HCID22329981

未命名化合物

PRODUCTS

生成物

结构：CCc1cc2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O

HCID11409799

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-962a9085af2e46758f2bfd8d7e70371f
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:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[N:29]1[CH2:30][CH2:31][N:32]([c:35]2[cH:36][n:37][c:38]([NH2:41])[cH:39][cH:40]2)[CH2:33][CH2:34]1.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH:1]1([n:6]2[c:7](=[O:21])[c:8]([CH2:19][CH3:20])[cH:9][c:10]3[c:11]2[n:12][c:13]([S:16]([CH3:17])=[O:18])[n:14][cH:15]3)[CH2:2][CH2:3][CH2:4][CH2:5]1>>[CH:1]1([n:6]2[c:7](=[O:21])[c:8]([CH2:19][CH3:20])[cH:9][c:10]3[c:11]2[n:12][c:13]([NH:41][c:38]2[n:37][cH:36][c:35]([N:32]4[CH2:31][CH2:30][N:29]([C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[CH2:34][CH2:33]4)[cH:40][cH:39]2)[n:14][cH:15]3)[CH2:2][CH2:3][CH2:4][CH2:5]1