HRID166830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：OCCC1CSC(c2cc3cc(Cl)cc(NC4CCCC4)c3[nH]2)=N1

HCID66974422

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(CCC2CSC(c3cc4cc(Cl)cc(NC5CCCC5)c4[nH]3)=N2)CC1

HCID178452325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0982f12e9c04c36945ead27a6bef718
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:25](=[O:26])([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[N:32]1[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1.[Cl:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:17]3=[N:21][CH:20]([CH2:22][CH2:23][OH:24])[CH2:19][S:18]3)[nH:7][c:8]2[c:9]([NH:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:10]1>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:17]3=[N:21][CH:20]([CH2:22][CH2:23][N:35]4[CH2:34][CH2:33][N:32]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:37][CH2:36]4)[CH2:19][S:18]3)[nH:7][c:8]2[c:9]([NH:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:10]1