HRID1222488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)COc1cccc2[nH]c(C(=O)NC3CCN(CCN4CCCCCC4)CC3)cc12

HCID11442047

未命名化合物

HCID15733445

2-(4-Aminopiperidin-1-yl)ethan-1-ol

C7H16N2O

PRODUCTS

生成物

结构：CC(C)COc1cccc2[nH]c(C(=O)NC3CCN(CCO)CC3)cc12

HCID66841627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6297645118a44ac88d6d6c9731f0cc04
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[N:1]1([CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][CH:13]([NH:16][C:17](=[O:18])[c:19]3[nH:20][c:21]4[cH:22][cH:23][cH:24][c:25]([O:28][CH2:29][CH:30]([CH3:31])[CH3:32])[c:26]4[cH:27]3)[CH2:14][CH2:15]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[NH2:42][CH:43]1[CH2:44][CH2:45][N:46]([CH2:47][CH2:48][OH:51])[CH2:49][CH2:50]1.[Na+:53].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH-:52]>>[CH2:8]([CH2:9][N:10]1[CH2:11][CH2:12][CH:13]([NH:16][C:17](=[O:18])[c:19]2[nH:20][c:21]3[cH:22][cH:23][cH:24][c:25]([O:28][CH2:29][CH:30]([CH3:31])[CH3:32])[c:26]3[cH:27]2)[CH2:14][CH2:15]1)[OH:51]