HRID1540225

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID1482373

7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

C12H13NO3

HCID4574913

未命名化合物

HCID19075901

1-Benzyl-3-(bromomethyl)piperidine

C13H18BrN

PRODUCTS

生成物

结构：COc1cc2c(cc1OC)CC(=O)N(CC1CCCN(Cc3ccccc3)C1)C=C2

HCID19803597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5c5b3307c63430ab04f229aa30de7a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[N:30]1[CH2:31][CH:32]([CH2:36][Br:37])[CH2:33][CH2:34][CH2:35]1.[CH3:17][C:18]([CH3:19])([O-:20])[CH3:21].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:13][c:14]1[O:15][CH3:16])[CH2:7][C:8](=[O:12])[NH:9][CH:10]=[CH:11]2.[CH3:39][S:40]([CH3:41])=[O:42].[K+:22].[OH2:38]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:13][c:14]1[O:15][CH3:16])[CH2:7][C:8](=[O:12])[N:9]([CH2:36][CH:32]1[CH2:31][N:30]([CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH2:35][CH2:34][CH2:33]1)[CH:10]=[CH:11]2