HRID2319901

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3032233

2-(3,4-dimethoxyphenyl)propan-2-amine

C11H17NO2

反应SMILES：CC12CCC(C#N)=CC1=CCC1C2CCC2(C)C(C(=O)Sc3ccccn3)CCC12

HCID178421222

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(C(C)(C)NC(=O)C2CCC3C4CC=C5C=C(C#N)CCC5(C)C4CCC23C)cc1OC

HCID178490152

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f1884599fc2f4909abf13100bd93a9c9
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

[C:1](#[N:2])[C:3]1=[CH:4][C:5]2=[CH:6][CH2:7][CH:8]3[CH:9]4[CH2:10][CH2:11][CH:12]([C:22]([S:23][c:24]5[cH:25][cH:26][cH:27][cH:28][n:29]5)=[O:30])[C:13]4([CH3:14])[CH2:15][CH2:16][CH:17]3[C:18]2([CH3:21])[CH2:19][CH2:20]1.[CH3:31][O:32][c:33]1[cH:34][c:35]([C:41]([CH3:42])([CH3:43])[NH2:44])[cH:36][cH:37][c:38]1[O:39][CH3:40]>>[C:1](#[N:2])[C:3]1=[CH:4][C:5]2=[CH:6][CH2:7][CH:8]3[CH:9]4[CH2:10][CH2:11][CH:12]([C:22](=[O:30])[NH:44][C:41]([c:35]5[cH:34][c:33]([O:32][CH3:31])[c:38]([O:39][CH3:40])[cH:37][cH:36]5)([CH3:42])[CH3:43])[C:13]4([CH3:14])[CH2:15][CH2:16][CH:17]3[C:18]2([CH3:21])[CH2:19][CH2:20]1