HRID202253

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID589040

Indole-5-carboxaldehyde

C9H7NO

HCID2724942

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(Cc2ccc3[nH]ccc3c2)CC1

HCID68489934

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6adac49418d6467e9cdca33fbb833296
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:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1.[C:29]([O:30][BH-:31]([O:32][C:33](=[O:34])[CH3:35])[O:36][C:37](=[O:38])[CH3:39])(=[O:40])[CH3:41].[CH3:25][C:26](=[O:27])[OH:28].[CH3:49][C:50]#[N:51].[CH:1](=[O:2])[c:3]1[cH:4][c:5]2[cH:6][cH:7][nH:8][c:9]2[cH:10][cH:11]1.[Na+:42].[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[OH2:52]>>[CH2:1]([c:3]1[cH:4][c:5]2[cH:6][cH:7][nH:8][c:9]2[cH:10][cH:11]1)[N:22]1[CH2:21][CH2:20][N:19]([C:17]([O:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:18])[CH2:24][CH2:23]1