HRID1140203

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23087245

未命名化合物

结构：COc1cc(NCCCc2ccc(OCC(C)(C)N(C)C)cc2)c(C2CCc3cc(OC(=O)C(C)(C)C)ccc3C2)cc1OC

HCID178493134

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NCCCc2ccc(OCC(C)(C)N(C)C)cc2)c(C2CCc3cc(O)ccc3C2)cc1OC

HCID77155111

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9faba8d32e634bb588c997655f4cee01
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:17][N:18]([C:19]([CH2:20][O:21][c:22]1[cH:23][cH:24][c:25]([CH2:26][CH2:27][CH2:28][NH:29][c:30]2[c:31]([CH:40]3[CH2:41][c:42]4[cH:43][cH:44][c:45]([O:50][C:51](=[O:52])[C:53]([CH3:54])([CH3:55])[CH3:56])[cH:46][c:47]4[CH2:48][CH2:49]3)[cH:32][c:33]([O:38][CH3:39])[c:34]([O:36][CH3:37])[cH:35]2)[cH:57][cH:58]1)([CH3:59])[CH3:60])[CH3:61].[CH3:1][N:2]([CH3:3])[C:4]([CH3:5])([CH3:6])[CH2:7][O:8][c:9]1[cH:10][cH:11][c:12]([CH:13]=[O:14])[cH:15][cH:16]1>>[CH3:17][N:18]([C:19]([CH2:20][O:21][c:22]1[cH:23][cH:24][c:25]([CH2:26][CH2:27][CH2:28][NH:29][c:30]2[c:31]([CH:40]3[CH2:41][c:42]4[cH:43][cH:44][c:45]([OH:50])[cH:46][c:47]4[CH2:48][CH2:49]3)[cH:32][c:33]([O:38][CH3:39])[c:34]([O:36][CH3:37])[cH:35]2)[cH:57][cH:58]1)([CH3:59])[CH3:60])[CH3:61]