HRID946528

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID28486

Lithium ion

Li+

HCID581831

1-(tert-Butoxycarbonyl)piperidine-2-carboxylic acid

C11H19NO4

结构：Nc1ccc(C#Cc2cn(CCO)nc2-c2cc(Cl)ccc2O)cc1

HCID135974913

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCCC1C(=O)Nc1ccc(C#Cc2cn(CCO)nc2-c2cc(Cl)ccc2O)cc1

HCID136366141

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b01c8d13b2ca4521b1e2a7d20835bdac
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:26](=[O:27])([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[N:33]1[CH:34]([C:39](=[O:40])[OH:41])[CH2:35][CH2:36][CH2:37][CH2:38]1.[CH2:67]1[O:68][CH2:69][CH2:70][CH2:71]1.[CH3:54][C:55](=[O:56])[OH:57].[CH3:58][N:59]([CH3:60])[c:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1.[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[CH:42]([N:43]=[C:44]=[N:45][CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Li+:52].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][c:10]2[c:11](-[c:18]3[c:19]([OH:25])[cH:20][cH:21][c:22]([Cl:24])[cH:23]3)[n:12][n:13]([CH2:15][CH2:16][OH:17])[cH:14]2)[cH:6][cH:7]1.[OH-:51].[OH2:53].[OH2:72]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][c:10]2[c:11](-[c:18]3[c:19]([OH:25])[cH:20][cH:21][c:22]([Cl:24])[cH:23]3)[n:12][n:13]([CH2:15][CH2:16][OH:17])[cH:14]2)[cH:6][cH:7]1)[C:39]([CH:34]1[N:33]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:38][CH2:37][CH2:36][CH2:35]1)=[O:40]