HRID202410

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID94239

Methyl prolinate

C6H11NO2

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID4546342

2-tert-Butoxycarbonylamino-3-pyridin-2-yl-propionic acid

C13H18N2O4

PRODUCTS

生成物

结构：COC(=O)C1CCCN1C(=O)C(Cc1ccccn1)NC(=O)OC(C)(C)C

HCID178498075

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85758012d96d47a5b0320fc8659fee5b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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