HRID698880

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O

HCID294897

未命名化合物

结构：CC(C)CCCC(C)C1CCC2C3CCC4CC(N)CCC4(C)C3CCC12C

HCID409821

10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine

C27H49N

PRODUCTS

生成物

结构：CC(C)CCCC(C)C1CCC2C3CCC4CC(NC(=O)C(Cc5ccc(OCc6ccccc6)cc5)NC(=O)OC(C)(C)C)CCC4(C)C3CCC12C

HCID178442585

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdf3508c7e9b4eeab707e66ac109c351
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:15][cH:16]1)[C:25](=[O:26])[OH:27].[NH2:28][CH:29]1[CH2:30][CH:31]2[CH2:32][CH2:33][CH:34]3[CH:35]4[CH2:36][CH2:37][CH:38]([CH:39]([CH2:40][CH2:41][CH2:42][CH:43]([CH3:44])[CH3:45])[CH3:46])[C:47]4([CH3:55])[CH2:48][CH2:49][CH:50]3[C:51]2([CH3:54])[CH2:52][CH2:53]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:15][cH:16]1)[C:25](=[O:26])[NH:28][CH:29]1[CH2:30][CH:31]2[CH2:32][CH2:33][CH:34]3[CH:35]4[CH2:36][CH2:37][CH:38]([CH:39]([CH2:40][CH2:41][CH2:42][CH:43]([CH3:44])[CH3:45])[CH3:46])[C:47]4([CH3:55])[CH2:48][CH2:49][CH:50]3[C:51]2([CH3:54])[CH2:52][CH2:53]1