HRID1559938

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID9994433

TERT-BUTYL 4-(HYDROXYMETHYL)-4-PHENYLPIPERIDINE-1-CARBOXYLATE

C17H25NO3

HCID22324272

1-Bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene

C8H5Br2F3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(COCc2cc(Br)cc(C(F)(F)F)c2)(c2ccccc2)CC1

HCID58993603

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aea31cda7a0640d19080e8c6e6ff9bd1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH2:12][Br:13])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[H-:35].[Na+:36].[OH2:42].[OH:14][CH2:15][C:16]1([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]1>>[Br:1][c:2]1[cH:3][c:4]([CH2:12][O:14][CH2:15][C:16]2([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]2)[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1