HRID677949

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID4498

3-Piperidinecarboxylic acid

C6H11NO2

HCID8471

Triethylamine

C6H15N

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(C(=O)C4CCCNC4)CC3)nc3c2cnn3C(C)C)c(=O)[nH]1

HCID68351043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a53a3ef3bc9406e91ed1d750c68294d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[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.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:49][S:50]([CH3:51])=[O:52].[OH2:48].[OH:39][C:40](=[O:41])[CH:42]1[CH2:43][CH2:44][CH2:45][NH:46][CH2:47]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]([C:40](=[O:39])[CH:42]5[CH2:43][CH2:44][CH2:45][NH:46][CH2:47]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

反应方程式

反应物

Dimethyl sulfoxide

Water

3-​Piperidinecarboxylic acid

Triethylamine

未命名化合物

生成物

未命名化合物

3-Piperidinecarboxylic acid