HRID2317079

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID44118797

tert-Butyl 2-(propan-2-yl)piperazine-1-carboxylate

C12H24N2O2

结构：CN(C)C(=O)C(C)(C)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1

HCID59151257

未命名化合物

PRODUCTS

生成物

结构：CC(C)C1CN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CCN1C(=O)OC(C)(C)C

HCID72541734

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-889976d6557f4b9697a80d05f120ecbc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37](=[O:38])[N:39]1[CH:40]([CH:45]([CH3:46])[CH3:47])[CH2:41][NH:42][CH2:43][CH2:44]1.[Cl:1][c:2]1[n:3][c:4]([N:26]2[CH2:27][CH2:28][O:29][CH2:30][CH2:31]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][N:15]([C:16]([CH3:17])([CH3:18])[C:19]([N:20]([CH3:21])[CH3:22])=[O:23])[CH2:24][CH2:25]1)[s:10]2>>[Cl:1][c:2]1[n:3][c:4]([N:26]2[CH2:27][CH2:28][O:29][CH2:30][CH2:31]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:42]1[CH2:41][CH:40]([CH:45]([CH3:46])[CH3:47])[N:39]([C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:38])[CH2:44][CH2:43]1)[s:10]2