HRID203382

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID5240609

未命名化合物

HCID15512822

4-(5-Fluoro-2-methoxyphenyl)piperidine

C12H16FNO

PRODUCTS

生成物

结构：COc1ccc(F)cc1C1CCN(C(=O)C(Cc2ccccc2)N(C)C(=O)OC(C)(C)C)CC1

HCID57272678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-639b9bb7c71e4e62884652134d991fd6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:16][N:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH:25]([C:26](=[O:27])[OH:28])[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:37][N:38]([CH3:39])[CH2:40][CH2:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH3:47].[CH3:59][N:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH3:72][CH2:73][O:74][C:75]([CH3:76])=[O:77].[ClH:36].[F:1][c:2]1[cH:3][cH:4][c:5]([O:14][CH3:15])[c:6]([CH:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:7]1.[OH2:48].[OH2:71].[OH:49][n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:14][CH3:15])[c:6]([CH:8]2[CH2:9][CH2:10][N:11]([C:26]([CH:25]([N:17]([CH3:16])[C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)=[O:27])[CH2:12][CH2:13]2)[cH:7]1