HRID295379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID98210

3-Pyrrolidinol

C4H9NO

HCID2756794

N-(tert-Butoxycarbonyl)-4-fluorophenylalanine

C14H18FNO4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccc(F)cc1)C(=O)N1CCC(O)C1

HCID67278769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fa7d917ccdd4d868111a277a36eac15
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1)[C:18](=[O:19])[OH:20].[CH3:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH2:53][CH2:54][N:55]([CH3:56])[CH3:57].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH2:46].[OH:21][CH:22]1[CH2:23][NH:24][CH2:25][CH2:26]1.[OH:36][n:37]1[c:38]2[c:39]([cH:40][cH:41][cH:42][cH:43]2)[n:44][n:45]1>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1)[C:18](=[O:20])[N:24]1[CH2:23][CH:22]([OH:21])[CH2:26][CH2:25]1