HRID145015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6212

Chloroform

CHCl3

HCID7972

4-Methylmorpholine

C5H11NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID415282

3,3-diethoxypropanoic acid

C7H14O4

HCID21075823

未命名化合物

PRODUCTS

生成物

结构：CCOC(CC(=O)Nc1cnc2ccccc2c1NNC(=O)OC(C)(C)C)OCC

HCID66619949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3976f8bb0a4744639e76b09a8c28beef
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

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