HRID201731

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68263

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

C7H6N4O

HCID72879

Methanesulfonamide

CH5NO2S

HCID166653

Hydride

H-

结构：CC(C)(C)NC(=O)c1ccc(-c2cccc(C3Nc4ccc(C(=O)O)cc4CC3(C)C)c2)cc1

HCID58476288

2-(4'-Tert-butylcarbamoyl-biphenyl-3-yl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

C29H32N2O3

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1ccc(-c2cccc(C3Nc4ccc(C(=O)NS(C)(=O)=O)cc4CC3(C)C)c2)cc1

HCID58476229

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77517dfa74c842f39b61343e54e4d372
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:42]([n:43]1[cH:44][cH:45][n:46][cH:47]1)([n:48]1[cH:49][cH:50][n:51][cH:52]1)=[O:53].[C:8]([CH3:9])([CH3:10])([CH3:11])[NH:12][C:13](=[O:14])[c:15]1[cH:16][cH:17][c:18](-[c:21]2[cH:22][c:23]([CH:27]3[NH:28][c:29]4[cH:30][cH:31][c:32]([C:39](=[O:40])[OH:41])[cH:33][c:34]4[CH2:35][C:36]3([CH3:37])[CH3:38])[cH:24][cH:25][cH:26]2)[cH:19][cH:20]1.[CH3:3][S:4](=[O:5])(=[O:6])[NH2:7].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[H-:1].[Na+:2]>>[CH3:3][S:4](=[O:5])(=[O:6])[NH:7][C:39]([c:32]1[cH:31][cH:30][c:29]2[c:34]([cH:33]1)[CH2:35][C:36]([CH3:37])([CH3:38])[CH:27]([c:23]1[cH:22][c:21](-[c:18]3[cH:17][cH:16][c:15]([C:13]([NH:12][C:8]([CH3:9])([CH3:10])[CH3:11])=[O:14])[cH:20][cH:19]3)[cH:26][cH:25][cH:24]1)[NH:28]2)=[O:40]