HRID149458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6558

Isobutylamine

C4H11N

HCID7525

N-Ethylmorpholine

C6H13NO

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID102945

未命名化合物

PRODUCTS

生成物

结构：CCC(C)C(NC(=O)OCc1ccccc1)C(=O)NCC(C)C

HCID178446719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-074de02201524e97b2cf83621559a165
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH:13]([CH3:14])[CH2:15][CH3:16])[C:17](=[O:18])[OH:19].[CH2:20]([N:21]1[CH2:22][CH2:23][O:24][CH2:25][CH2:26]1)[CH3:27].[CH2:36]([CH:37]([CH3:38])[CH3:39])[NH2:40].[Cl:28][C:29]([O:30][CH2:31][CH:32]([CH3:33])[CH3:34])=[O:35].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH2:46]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH:13]([CH3:14])[CH2:15][CH3:16])[C:17](=[O:19])[NH:40][CH2:36][CH:37]([CH3:38])[CH3:39]