HRID1557615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21948358

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(C(=O)O)c3ccccc23)CC1

HCID22711842

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1N1CC(C)N(C)C(C)C1)N(C(=O)c1ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c3ccccc13)CC2

HCID22711887

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43877d056832433494cd4cdbb7962f36
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][cH:16][c:17]([C:24](=[O:25])[OH:26])[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]23)[CH2:12][CH2:13]1.[CH3:27][O:28][c:29]1[cH:30][c:31]2[c:35]([cH:36][c:37]1[N:38]1[CH2:39][CH:40]([CH3:46])[N:41]([CH3:45])[CH:42]([CH3:44])[CH2:43]1)[NH:34][CH2:33][CH2:32]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][cH:16][c:17]([C:24](=[O:25])[N:34]3[CH2:33][CH2:32][c:31]4[cH:30][c:29]([O:28][CH3:27])[c:37]([N:38]5[CH2:39][CH:40]([CH3:46])[N:41]([CH3:45])[CH:42]([CH3:44])[CH2:43]5)[cH:36][c:35]43)[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]23)[CH2:12][CH2:13]1