HRID112877

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID4118627

2-(((Tert-butoxy)carbonyl)amino)-4-hydroxybutanoic acid

C9H17NO5

HCID71060412

未命名化合物

PRODUCTS

生成物

结构：CN1CC(c2ccccc2)C2(CCCN(C(=O)C(CCO)NC(=O)OC(C)(C)C)C2)C1=O

HCID178480043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f04d82aa9ff4680918001e74fb40eff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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