HRID285423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID7498

alpha-Bromotoluene

C7H7Br

HCID8857

Ethyl acetate

C4H8O2

结构：CCN(CC)C(=O)c1ccc(C(Br)=C2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID10503756

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)c1ccc(C(Br)=C2CCN(Cc3ccccc3)CC2)cc1

HCID11374090

4-[Bromo[1-(phenylmethyl)-4-piperidinylidene]methyl]-N,N-diethylbenzamide

C24H29BrN2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5618dc60cef43039c0e01364ab920d2
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

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