HRID2146325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID2106897

1-aminocyclopentanecarbonitrile

C6H10N2

HCID4712496

2-tert-butoxycarbonylamino-4,4-dimethyl-pentanoic acid

C12H23NO4

PRODUCTS

生成物

结构：CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CCCC1

HCID20825553

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd94c07e62434afc8ac2505762b42a28
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[CH2:13][C:14]([CH3:15])([CH3:16])[CH3:17].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:18][N:19]1[CH2:20][CH2:21][O:22][CH2:23][CH2:24]1.[Cl:25][C:26]([O:27][CH2:28][CH:29]([CH3:30])[CH3:31])=[O:32].[NH2:33][C:34]1([C:39]#[N:40])[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH2:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:12])[NH:33][C:34]1([C:39]#[N:40])[CH2:35][CH2:36][CH2:37][CH2:38]1)[CH2:13][C:14]([CH3:15])([CH3:16])[CH3:17]