HRID200956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID31738

4-Benzylpiperidine

C12H17N

HCID10850590

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCC(Cc3ccccc3)CC1)O2

HCID15485880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ca3c7a93d814626b46e32a63e1f3c24
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

[Br:1][CH2:2][C:3]1([CH3:16])[O:4][c:5]2[c:6]([c:8]([CH3:15])[c:9]([NH2:14])[c:10]([CH3:13])[c:11]2[CH3:12])[CH2:7]1.[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[Na+:41].[O-:37][C:38]([OH:39])=[O:40]>>[CH2:2]([C:3]1([CH3:16])[O:4][c:5]2[c:6]([c:8]([CH3:15])[c:9]([NH2:14])[c:10]([CH3:13])[c:11]2[CH3:12])[CH2:7]1)[N:27]1[CH2:26][CH2:25][CH:24]([CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[CH2:29][CH2:28]1