HRID186123

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12761172

未命名化合物

结构：CC12CCC(=O)NC1=CCC1C2CCC2(C)C(C(=O)O)CCC12

HCID22020172

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C1CCC2C3CC=C4NC(=O)CCC4(C)C3CCC12C)(c1ccccc1)c1ccccc1

HCID178464700

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79f76ee01c9648298d17c5b9ba8d0bcd
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

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