HRID2322252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID137806

Benzeneacetic acid, α-bromo-, methyl ester

C9H9BrO2

结构：O=C(Nc1ccc(C2CCNCC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1

HCID22499368

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(c1ccccc1)N1CCC(c2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1

HCID17989467

Methyl α-phenyl-4-[4-[[[4′-(trifluoromethyl)[1,1′-biphenyl]-2-yl]carbonyl]amino]phenyl]-1-piperidineacetate

C34H31F3N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9065d7bf000d4569bc23acf202390695
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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