HRID2136825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6385

tert-Butylamine

C4H11N

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

结构：CCCC(NC(C)C(=O)N1C(C(=O)O)CC2CCCCC21)C(=O)OCC

HCID4169159

1-[2-[[1-(Ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic acid

C19H32N2O5

PRODUCTS

生成物

HCID6385

tert-Butylamine

C4H11N

HCID4169159

1-[2-[[1-(Ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic acid

C19H32N2O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d93332fdcaee4c73a0f7e13fe5b05b52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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