HRID1554065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15310856

2-Methoxy-α,α-dimethylbenzenemethanamine

C10H15NO

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

HCID178421222

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1C(C)(C)NC(=O)C1CCC2C3CC=C4C=C(C#N)CCC4(C)C3CCC12C

HCID178489443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bab70d2142454820bf5f3c79bcdc0599
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

[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[c:34]([C:39]([CH3:40])([CH3:41])[NH2:42])[cH:35][cH:36][cH:37][cH:38]1>>[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:42][C:39]([c:34]5[c:33]([O:32][CH3:31])[cH:38][cH:37][cH:36][cH:35]5)([CH3:40])[CH3:41])[C:13]4([CH3:14])[CH2:15][CH2:16][CH:17]3[C:18]2([CH3:21])[CH2:19][CH2:20]1