HRID318056

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID407

Phosphonic acid

H3O3P

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6334

Propane

C3H8

HCID8471

Triethylamine

C6H15N

HCID581831

1-(tert-Butoxycarbonyl)piperidine-2-carboxylic acid

C11H19NO4

HCID67269166

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCCC1C(=O)NC(C#N)Cc1ccc(-c2ccc(C#N)c(F)c2)cc1

HCID76700703

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f2e579fbd1b440e88e063b0b93233ae
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:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[N:15]1[CH:16]([C:21](=[O:22])[OH:23])[CH2:17][CH2:18][CH2:19][CH2:20]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:5][CH2:6][CH3:7].[NH2:24][CH:25]([CH2:26][c:27]1[cH:28][cH:29][c:30](-[c:33]2[cH:34][c:35]([F:41])[c:36]([C:39]#[N:40])[cH:37][cH:38]2)[cH:31][cH:32]1)[C:42]#[N:43].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:56].[PH:1]([OH:2])([OH:3])=[O:4]>>[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[N:15]1[CH:16]([C:21](=[O:23])[NH:24][CH:25]([CH2:26][c:27]2[cH:28][cH:29][c:30](-[c:33]3[cH:34][c:35]([F:41])[c:36]([C:39]#[N:40])[cH:37][cH:38]3)[cH:31][cH:32]2)[C:42]#[N:43])[CH2:17][CH2:18][CH2:19][CH2:20]1