HRID2324066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID333436

未命名化合物

HCID14660277

Isoquinolin-7-amine

C9H8N2

PRODUCTS

生成物

结构：CC(C)CC(C(=O)Nc1ccc2ccncc2c1)N(C)C(=O)OC(C)(C)C

HCID66906242

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4706dea4fb804810b08301b76973aa15
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([C:10](=[O:11])[OH:12])[CH2:13][CH:14]([CH3:15])[CH3:16])[CH3:17].[CH2:18]([Cl:19])[CH2:20][Cl:21].[CH3:38][N:39]([c:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1)[CH3:46].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[cH:22]1[n:23][cH:24][cH:25][c:26]2[cH:27][cH:28][c:29]([NH2:32])[cH:30][c:31]12>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([C:10](=[O:12])[NH:32][c:29]1[cH:28][cH:27][c:26]2[cH:25][cH:24][n:23][cH:22][c:31]2[cH:30]1)[CH2:13][CH:14]([CH3:15])[CH3:16])[CH3:17]