HRID1573364

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

结构：COCCOCc1cc2cnc(S(C)=O)nc2n(C2CCCC2)c1=O

HCID11222312

未命名化合物

HCID11737525

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

C14H22N4O2

PRODUCTS

生成物

结构：COCCOCc1cc2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O

HCID11227001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-025c7b8423184a8fb50d9757bbb14a78
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31](=[O:32])[N:33]1[CH2:34][CH2:35][N:36]([c:39]2[cH:40][n:41][c:42]([NH2:45])[cH:43][cH:44]2)[CH2:37][CH2:38]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH:1]1([n:6]2[c:7](=[O:25])[c:8]([CH2:19][O:20][CH2:21][CH2:22][O:23][CH3:24])[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:25])[c:8]([CH2:19][O:20][CH2:21][CH2:22][O:23][CH3:24])[cH:9][c:10]3[c:11]2[n:12][c:13]([NH:45][c:42]2[n:41][cH:40][c:39]([N:36]4[CH2:35][CH2:34][N:33]([C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[CH2:38][CH2:37]4)[cH:44][cH:43]2)[n:14][cH:15]3)[CH2:2][CH2:3][CH2:4][CH2:5]1