HRID147386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID78867

5-Aminoindole

C8H8N2

HCID735900

1-Boc-4-piperidone

C10H17NO3

HCID2724942

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Nc2ccc3[nH]ccc3c2)CC1

HCID66650318

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b364b61d16194f9caa6b3dfd81721f1d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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