HRID113395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(COc1ccc(C(=O)O)cc1)NC(=O)OC(C)(C)C

HCID23087075

未命名化合物

结构：CCOC(=O)CNc1cc(OC)ccc1C1CCc2cc(OC(=O)C(C)(C)C)ccc2C1

HCID57933970

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2CCc3cc(OC(=O)C(C)(C)C)ccc3C2)c(NCC(=O)OCCC(=O)c2ccc(OCC(C)(C)NC(=O)OC(C)(C)C)cc2)c1

HCID178488489

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9b82da10b264f409c4e094d92b1bc3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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