HRID289267

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID8471

Triethylamine

C6H15N

HCID2724942

未命名化合物

HCID12931765

未命名化合物

HCID15087784

tert-Butyl 2-methylpiperazine-1-carboxylate

C10H20N2O2

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)c(C)c1

HCID178474189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b8bffb5131d4aa79bd2a5c92cb46f82
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH3:15][CH:16]1[N:17]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:18][CH2:19][NH:20][CH2:21]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH:1](=[O:2])[c:3]1[c:4]([CH3:13])[cH:5][c:6]([NH:9][C:10]([CH3:11])=[O:12])[cH:7][cH:8]1.[ClH:14].[Na+:49].[Na+:54].[O-:50][C:51]([OH:52])=[O:53]>>[CH2:1]([c:3]1[c:4]([CH3:13])[cH:5][c:6]([NH:9][C:10]([CH3:11])=[O:12])[cH:7][cH:8]1)[N:20]1[CH2:19][CH2:18][N:17]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH:16]([CH3:15])[CH2:21]1