HRID1148174

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(CC(=O)N2CCC(Nc3ccc(F)cc3)CC2)cc1

HCID25223895

未命名化合物

PRODUCTS

生成物

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

HCID178430302

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b927d0dbf1cb4d0a9fffcafc408bc33e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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