HRID1141142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

结构：COc1cc(=O)n(Cc2nc3cc(CNC(=O)OC(C)(C)C)ccc3n2CCCCOC(=O)C(C)(C)C)c2ccccc12

HCID69710278

未命名化合物

结构：CC(C)(C)OC(=O)NCc1ccc2c(c1)nc(Cn1c(=O)n(C3CC3)c(=O)c3ccccc31)n2CCCCO

HCID69718999

未命名化合物

PRODUCTS

生成物

结构：COc1cc(=O)n(Cc2nc3cc(CNC(=O)OC(C)(C)C)ccc3n2CCCCO)c2ccccc12

HCID69717811

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1fff0e3697e44c608047aa80a126c57b
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

[C:1]([O:2][C:3](=[O:4])[NH:5][CH2:6][c:7]1[cH:8][cH:9][c:10]2[n:11]([CH2:12][CH2:13][CH2:14][CH2:15][OH:16])[c:17]([CH2:18][n:19]3[c:20]4[c:21]([cH:22][cH:23][cH:24][cH:25]4)[c:26](=[O:27])[n:28]([CH:29]4[CH2:30][CH2:31]4)[c:32]3=[O:33])[n:34][c:35]2[cH:36]1)([CH3:37])([CH3:38])[CH3:39].[C:40]([CH3:41])([CH3:42])([CH3:43])[O:44][C:45](=[O:46])[NH:47][CH2:48][c:49]1[cH:50][c:51]2[c:52]([n:53]([CH2:70][CH2:71][CH2:72][CH2:73][O:74][C:75](=[O:76])[C:77]([CH3:78])([CH3:79])[CH3:80])[c:54]([CH2:56][n:57]3[c:58](=[O:69])[cH:59][c:60]([O:67][CH3:68])[c:61]4[cH:62][cH:63][cH:64][cH:65][c:66]34)[n:55]2)[cH:81][cH:82]1.[OH2:83]>>[C:40]([CH3:41])([CH3:42])([CH3:43])[O:44][C:45](=[O:46])[NH:47][CH2:48][c:49]1[cH:50][c:51]2[c:52]([n:53]([CH2:70][CH2:71][CH2:72][CH2:73][OH:74])[c:54]([CH2:56][n:57]3[c:58](=[O:69])[cH:59][c:60]([O:67][CH3:68])[c:61]4[cH:62][cH:63][cH:64][cH:65][c:66]34)[n:55]2)[cH:81][cH:82]1