HRID288143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID498716

未命名化合物

HCID735900

1-Boc-4-piperidone

C10H17NO3

结构：Cc1cc(C)c(CNC(=O)c2cc(C3=CCNCC3)nc3c2cnn3C(C)C)c(=O)[nH]1

HCID68294868

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(CNC(=O)c2cc(C3=CCN(C4CCN(C(=O)OC(C)(C)C)CC4)CC3)nc3c2cnn3C(C)C)c(=O)[nH]1

HCID86703435

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41d64eba686c4136850c48390b419265
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:50]([BH3-:51])#[N:52].[CH3:1][c:2]1[c:3]([CH2:10][NH:11][C:12](=[O:13])[c:14]2[c:15]3[c:16]([n:17][c:18]([C:20]4=[CH:25][CH2:24][NH:23][CH2:22][CH2:21]4)[cH:19]2)[n:26]([CH:29]([CH3:30])[CH3:31])[n:27][cH:28]3)[c:4](=[O:9])[nH:5][c:6]([CH3:8])[cH:7]1.[CH3:46][C:47](=[O:48])[OH:49].[CH3:54][OH:55].[Na+:53].[O:32]=[C:33]1[CH2:34][CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]1>>[CH3:1][c:2]1[c:3]([CH2:10][NH:11][C:12](=[O:13])[c:14]2[c:15]3[c:16]([n:17][c:18]([C:20]4=[CH:25][CH2:24][N:23]([CH:33]5[CH2:34][CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]5)[CH2:22][CH2:21]4)[cH:19]2)[n:26]([CH:29]([CH3:30])[CH3:31])[n:27][cH:28]3)[c:4](=[O:9])[nH:5][c:6]([CH3:8])[cH:7]1