HRID2330312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

反应SMILES：CC(C)(C)OC(=O)N1CCC(F)(C(=O)O)CC1

HCID21050397

1-(tert-Butoxycarbonyl)-4-fluoropiperidine-4-carboxylic acid

C11H18FNO4

反应SMILES：CN(C(=O)N(C)C1CNCC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID123775016

未命名化合物

PRODUCTS

产物

反应SMILES：CN(C(=O)N(C)C1CN(C(=O)C2(F)CCN(C(=O)OC(C)(C)C)CC2)CC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID178485902

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9322494c79e544c8ba1c93dd7d2c26db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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