HRID1537990

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

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID28486

Lithium ion

Li+

HCID581831

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

C11H19NO4

结构：Nc1ccc(C#Cc2c[nH]nc2-c2cc(Cl)ccc2O)cc1

HCID178507548

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCCC1C(=O)Nc1ccc(C#Cc2c[nH]nc2-c2cc(Cl)ccc2O)cc1

HCID178451846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4978c86c2405456294041a86bbd69393
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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