HRID200073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID68092

Isoquinoline-1-carboxylic acid

C10H7NO2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID80604

Cyclohexanamine, 4-methyl-

C7H15N

HCID81531

Diisopropylethylamine

C8H19N

PRODUCTS

生成物

HCID22136382

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db70fb5baefc484aae15196378c8153d
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:14]([n:15]1[cH:16][cH:17][n:18][cH:19]1)([n:20]1[cH:21][cH:22][n:23][cH:24]1)=[O:25].[CH3:27][CH:28]1[CH2:29][CH2:30][CH:31]([NH2:34])[CH2:32][CH2:33]1.[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[ClH:26].[c:1]1([C:11](=[O:12])[OH:13])[n:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[c:1]1([C:11](=[O:13])[NH:34][CH:31]2[CH2:30][CH2:29][CH:28]([CH3:27])[CH2:33][CH2:32]2)[n:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12