HRID2346711

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID10017219

未命名化合物

HCID46849906

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CC1Cc3cc(OC)c(OC)cc31)CC2

HCID6426711

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

C27H36N2O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d10cf62d759a4dc0889d268f3fe7b6eb
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

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