HRID2129226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID79341

Piperidin-4-ol

C5H11NO

HCID81531

Diisopropylethylamine

C8H19N

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)CC1

HCID21710729

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ca3eebe0fdd4a89b5201c05acc2ac22
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](=[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].[CH3:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[ClH:21].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH:22][CH:23]1[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1.[OH:29][n:30]1[c:31]2[c:32]([cH:33][cH:34][cH:35][cH:36]2)[n:37][n:38]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:26]1[CH2:25][CH2:24][CH:23]([OH:22])[CH2:28][CH2:27]1