HRID183530

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID2724942

未命名化合物

HCID59378727

未命名化合物

反应SMILES：CNCCCN1C=Cc2cc(OC)c(OC)cc2CC1=O

HCID66657736

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CC1Cc3cc(OC)c(OC)cc31)C=C2

HCID46240593

3-[3-[[(3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methyl](methyl)amino]propyl]-7,8-dimethoxy-1,2-dihydro-3H-3-benzazepin-2-one

C27H34N2O5

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-919d1c63f37f4e6ab170d8a494ac24b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:18][c:19]1[O:20][CH3:21])[CH2:7][C:8](=[O:17])[N:9]([CH2:12][CH2:13][CH2:14][NH:15][CH3:16])[CH:10]=[CH:11]2.[CH3:22][O:23][c:24]1[cH:25][c:26]2[c:29]([cH:30][c:31]1[O:32][CH3:33])[CH:28]([CH:34]=[O:35])[CH2:27]2.[CH3:36][C:37](=[O:38])[OH:39].[Cl:59][CH2:60][Cl:61].[Na+:53]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:18][c:19]1[O:20][CH3:21])[CH2:7][C:8](=[O:17])[N:9]([CH2:12][CH2:13][CH2:14][N:15]([CH3:16])[CH2:34][CH:28]1[CH2:27][c:26]3[cH:25][c:24]([O:23][CH3:22])[c:31]([O:32][CH3:33])[cH:30][c:29]31)[CH:10]=[CH:11]2