HRID1127357

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

结构：CCOCc1cc2cnc(S(C)=O)nc2n(C2CCCC2)c1=O

HCID11772012

未命名化合物

PRODUCTS

生成物

结构：CCOCc1cc2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O

HCID11398732

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36a052e01d034abbb8a52559329bb550
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[N:31]1[CH2:32][CH2:33][N:34]([c:37]2[cH:38][n:39][c:40]([NH2:43])[cH:41][cH:42]2)[CH2:35][CH2:36]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH:1]1([n:6]2[c:7](=[O:23])[c:8]([CH2:19][O:20][CH2:21][CH3:22])[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:23])[c:8]([CH2:19][O:20][CH2:21][CH3:22])[cH:9][c:10]3[c:11]2[n:12][c:13]([NH:43][c:40]2[n:39][cH:38][c:37]([N:34]4[CH2:33][CH2:32][N:31]([C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:30])[CH2:36][CH2:35]4)[cH:42][cH:41]2)[n:14][cH:15]3)[CH2:2][CH2:3][CH2:4][CH2:5]1