HRID699650

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID67095843

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC(=O)Nc1cccc2nc(NC3CCc4ccccc43)ccc12

HCID74954548

N-[2-(2,3-dihydro-1H-inden-1-ylamino)quinolin-5-yl]-2-(dimethylamino)acetamide

C22H24N4O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cde5ad86fb584707a923dd2fd71cc30e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[B-:17]([F:18])([F:19])([F:20])[F:21].[CH2:8]([N:9]([CH:10]([CH3:11])[CH3:12])[CH:13]([CH3:14])[CH3:15])[CH3:16].[CH3:1][N:2]([CH3:3])[CH2:4][C:5]([OH:6])=[O:7].[CH:39]1([NH:48][c:49]2[n:50][c:51]3[cH:52][cH:53][cH:54][c:55]([NH2:59])[c:56]3[cH:57][cH:58]2)[CH2:40][CH2:41][c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]21.[Cl:65][CH2:66][Cl:67].[Na+:64].[O-:60][C:61]([OH:62])=[O:63].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[n:22]1([O:23][C:24]([N:25]([CH3:26])[CH3:27])=[N+:28]([CH3:29])[CH3:30])[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[CH3:1][N:2]([CH3:3])[CH2:4][C:5](=[O:7])[NH:59][c:55]1[cH:54][cH:53][cH:52][c:51]2[n:50][c:49]([NH:48][CH:39]3[CH2:40][CH2:41][c:42]4[cH:43][cH:44][cH:45][cH:46][c:47]43)[cH:58][cH:57][c:56]21