HRID2144473

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6385

tert-Butylamine

C4H11N

HCID6495

2,2-Dimethoxypropane

C5H12O2

HCID8857

Ethyl acetate

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-90b4d3bb669348f68e463e7c05ac43b8
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

[C:33]([CH3:34])([CH3:35])([CH3:36])[NH2:37].[CH3:27][CH2:28][O:29][C:30](=[O:31])[CH3:32].[CH3:38][O:39][C:40]([O:41][CH3:42])([CH3:43])[CH3:44].[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>>[C:33]([CH3:34])([CH3:35])([CH3:36])[NH2:37].[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