HRID178311

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID723833

4-(N-Boc-amino)piperidine

C10H20N2O2

HCID2344366

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NC(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)c2ccccc2n1

HCID59715916

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcc8673457b54ba0b333213734ae846f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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