HRID1115519

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID97743

N-Carbobenzoyl-DL-valine

C13H17NO4

HCID102884

tert-Butyl prolinate

C9H17NO2

PRODUCTS

生成物

结构：CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCCC1C(=O)OC(C)(C)C

HCID178449693

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-469ecb1cf3504b2a8f57ec17a82679fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34]([CH:35]1[NH:36][CH2:37][CH2:38][CH2:39]1)=[O:40].[C:61]([O:62][CH2:63][CH3:64])(=[O:65])[CH3:66].[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])[CH3:15])[C:16](=[O:17])[OH:18].[CH:41]1([N:42]=[C:43]=[N:44][CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1.[CH:67]([Cl:68])([Cl:69])[Cl:70].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH:19][n:20]1[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[n:27][n:28]1>>[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])[CH3:15])[C:16](=[O:18])[N:36]1[CH:35]([C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:40])[CH2:39][CH2:38][CH2:37]1