HRID158271

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID2724942

未命名化合物

HCID22219926

tert-Butyl 2,6-dimethylpiperazine-1-carboxylate

C11H22N2O2

结构：O=Cc1ccc(CCC(=O)N2CCC(Nc3ccc(F)cc3)CC2)cc1

HCID25223892

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2ccc(CCC(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)CC(C)N1C(=O)OC(C)(C)C

HCID69108688

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29ccd03d4fa24b4ab9180a82e557f205
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[CH3:27][CH:28]1[N:29]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH:30]([CH3:34])[CH2:31][NH:32][CH2:33]1.[F:1][c:2]1[cH:3][cH:4][c:5]([NH:8][CH:9]2[CH2:10][CH2:11][N:12]([C:15]([CH2:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([CH:22]=[O:23])[cH:24][cH:25]3)=[O:26])[CH2:13][CH2:14]2)[cH:6][cH:7]1.[Na+:55].[Na+:60].[O-:56][C:57]([OH:58])=[O:59]>>[F:1][c:2]1[cH:3][cH:4][c:5]([NH:8][CH:9]2[CH2:10][CH2:11][N:12]([C:15]([CH2:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([CH2:22][N:32]4[CH2:31][CH:30]([CH3:34])[N:29]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH:28]([CH3:27])[CH2:33]4)[cH:24][cH:25]3)=[O:26])[CH2:13][CH2:14]2)[cH:6][cH:7]1