HRID2156008

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID10931724

3-(2-methyl-1,3-dioxolan-2-yl)propanoic Acid

C7H12O4

HCID11298872

N4-Isobutylquinoline-3,4-diamine

C13H17N3

PRODUCTS

生成物

结构：CC(C)CNc1c(NC(=O)CCC2(C)OCCO2)cnc2ccccc12

HCID67052427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61ef1fd9304b46d08aa67ac71a7cbfeb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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