HRID294243

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID136469

4-Trifluoromethylpiperidine

C6H10F3N

HCID498716

未命名化合物

结构：CC(C)(C)OC(=O)NC1C2CCC1Cc1cc(CCC=O)ccc1C2

HCID86591377

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1C2CCC1Cc1cc(CCCN3CCC(C(F)(F)F)CC3)ccc1C2

HCID86591376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcc3f52f331245388925c7d9b5449adb
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH:9]2[CH2:10][c:11]3[cH:12][c:13]([CH2:21][CH2:22][CH:23]=[O:24])[cH:14][cH:15][c:16]3[CH2:17][CH:18]1[CH2:19][CH2:20]2)=[O:25].[C:37]([BH3-:38])#[N:39].[CH3:41][OH:42].[ClH:26].[F:27][C:28]([CH:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1)([F:35])[F:36].[Na+:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH:9]2[CH2:10][c:11]3[cH:12][c:13]([CH2:21][CH2:22][CH2:23][N:32]4[CH2:31][CH2:30][CH:29]([C:28]([F:27])([F:35])[F:36])[CH2:34][CH2:33]4)[cH:14][cH:15][c:16]3[CH2:17][CH:18]1[CH2:19][CH2:20]2)=[O:25]