HRID1214193

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+

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID11414765

Benzyl 2-aminoquinoline-6-carboxylate

C17H14N2O2

HCID13629286

4'-tert-Butyl[1,1'-biphenyl]-2-carboxylic acid

C17H18O2

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(-c2ccccc2C(=O)Nc2ccc3cc(C(=O)OCc4ccccc4)ccc3n2)cc1

HCID59710993

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-861561759a3b4ec3bcdbc46e942c1e62
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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