HRID146412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID581831

1-(tert-Butoxycarbonyl)piperidine-2-carboxylic acid

C11H19NO4

结构：CC(C)N1CC(=O)N(C)c2cnc(Nc3cc(N)cc(S(C)(=O)=O)c3)nc21

HCID59286174

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CC(=O)N(C)c2cnc(Nc3cc(NC(=O)C4CCCCN4C(=O)OC(C)(C)C)cc(S(C)(=O)=O)c3)nc21

HCID68423465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01b22c9266b44ec9b047aeddeab8fd00
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14](=[O:15])[OH:16])[CH2:10][CH2:11][CH2:12][CH2:13]1.[NH2:17][c:18]1[cH:19][c:20]([NH:28][c:29]2[n:30][c:31]3[c:36]([cH:37][n:38]2)[N:35]([CH3:39])[C:34](=[O:40])[CH2:33][N:32]3[CH:41]([CH3:42])[CH3:43])[cH:21][c:22]([S:24](=[O:25])(=[O:26])[CH3:27])[cH:23]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14](=[O:16])[NH:17][c:18]2[cH:19][c:20]([NH:28][c:29]3[n:30][c:31]4[c:36]([cH:37][n:38]3)[N:35]([CH3:39])[C:34](=[O:40])[CH2:33][N:32]4[CH:41]([CH3:42])[CH3:43])[cH:21][c:22]([S:24](=[O:25])(=[O:26])[CH3:27])[cH:23]2)[CH2:10][CH2:11][CH2:12][CH2:13]1