HRID114252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15284809

3-[2-(Trifluoromethyl)phenyl]propanoic acid

C10H9F3O2

结构：CC(C)(C)OC(=O)N1Cc2ccccc2C2(CCNCC2)C1

HCID49760902

tert-Butyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate

C18H26N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1Cc2ccccc2C2(CCN(C(=O)CCc3ccccc3C(F)(F)F)CC2)C1

HCID58295813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-703867847ad04ca180c98d8eae304bca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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