HRID674359

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2756810

tert-Butyl 3-methylpiperazine-1-carboxylate

C10H20N2O2

结构：O=Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1

HCID86603262

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)OC(C)(C)C)CCN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1

HCID178430792

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa3da6b2d0be472fa4c4cd8e810fe9b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[N:32]1[CH2:33][CH:34]([CH3:38])[NH:35][CH2:36][CH2:37]1.[OH:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][NH:10][c:11]2[n:12][cH:13][cH:14][c:15](-[c:17]3[cH:18][c:19]([CH:20]=[O:21])[cH:22][cH:23][cH:24]3)[n:16]2)[cH:6][cH:7]1>>[OH:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][NH:10][c:11]2[n:12][cH:13][cH:14][c:15](-[c:17]3[cH:18][c:19]([CH2:20][N:35]4[CH:34]([CH3:38])[CH2:33][N:32]([C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:31])[CH2:37][CH2:36]4)[cH:22][cH:23][cH:24]3)[n:16]2)[cH:6][cH:7]1