HRID697657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID31670

1-Pyrrolidinepropanamine

C7H16N2

HCID2724942

未命名化合物

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：CC(C)(C)OC(=O)n1ncc2cc(-c3ccc(F)c(CNCCCN4CCCC4)c3)ccc21

HCID68750572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6416c984f48f42fb889a91c4716976cc
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

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