HRID1132495

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID2724942

未命名化合物

HCID2756424

tert-Butyl (2-aminoethyl)methylcarbamate

C8H18N2O2

结构：CC(C)(C)OC(=O)n1ncc2cc(-c3ccc(F)c(C=O)c3)ccc21

HCID86616469

5-(4-Fluoro-3-formylphenyl)-indazole-1-carboxylic acid tert-butyl ester

C19H17FN2O3

PRODUCTS

生成物

结构：CN(CCNCc1cc(-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2)ccc1F)C(=O)OC(C)(C)C

HCID68748613

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ddc11d486904ea58ddd6b3407f1fe83
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[n:26]1[n:27][cH:28][c:29]2[cH:30][c:31](-[c:35]3[cH:36][c:37]([CH:42]=[O:43])[c:38]([F:41])[cH:39][cH:40]3)[cH:32][cH:33][c:34]12.[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[C:44]([CH3:45])([CH3:46])([CH3:47])[O:48][C:49]([N:50]([CH3:51])[CH2:52][CH2:53][NH2:54])=[O:55].[CH3:15][C:16](=[O:17])[OH:18].[Cl:56][CH:57]([Cl:58])[CH3:59].[Na+:14].[OH2:60]>>[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[n:26]1[n:27][cH:28][c:29]2[cH:30][c:31](-[c:35]3[cH:36][c:37]([CH2:42][NH:54][CH2:53][CH2:52][N:50]([C:49]([O:48][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:55])[CH3:51])[c:38]([F:41])[cH:39][cH:40]3)[cH:32][cH:33][c:34]12