HRID146795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID1512676

Tert-butyl Piperidine-4-carboxylate

C10H19NO2

结构：O=C(O)C1CN(c2ccc(-c3noc(=O)[nH]3)cc2)C(=O)O1

HCID136005120

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1CCN(C(=O)C2CN(c3ccc(-c4noc(=O)[nH]4)cc3)C(=O)O2)CC1

HCID136146332

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d54e17237b7e45a687f0a8bb5ba29af9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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