HRID99518

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID674

Dimethylamine

C2H7N

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6558

Isobutylamine

C4H11N

HCID8471

Triethylamine

C6H15N

HCID22933359

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CC(C)CNC(=O)c1ccccc1Oc1ccc2[nH]ncc2c1

HCID22933623

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3e41adc62464b06b5541061281ad8bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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