HRID1128592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：COc1ccc(Cn2c(=O)ccn(C3OC(C(O)C(NCCCNC(=O)C(CC(C)C)NC(=O)OCc4ccccc4)C(=O)OC(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)c2=O)cc1

HCID178490853

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2c(=O)ccn(C3OC(C(O)C(NCCCNC(=O)C(N)CC(C)C)C(=O)OC(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)c2=O)cc1

HCID20759920

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7366779699f44e7395a39ffed69ebb5f
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]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]1[CH:8]([CH:37]([CH:38]([NH:39][CH2:40][CH2:41][CH2:42][NH:43][C:44]([CH:45]([NH:46][C:47](=[O:48])[O:49][CH2:50][c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[CH2:57][CH:58]([CH3:59])[CH3:60])=[O:61])[C:62](=[O:63])[O:64][C:65]([CH3:66])([CH3:67])[CH3:68])[OH:69])[O:9][CH:10]([n:20]2[c:21](=[O:36])[n:22]([CH2:27][c:28]3[cH:29][cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]3)[c:23](=[O:26])[cH:24][cH:25]2)[CH:11]1[O:12][Si:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])([CH3:70])[CH3:71].[CH3:72][OH:73]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]1[CH:8]([CH:37]([CH:38]([NH:39][CH2:40][CH2:41][CH2:42][NH:43][C:44]([CH:45]([NH2:46])[CH2:57][CH:58]([CH3:59])[CH3:60])=[O:61])[C:62](=[O:63])[O:64][C:65]([CH3:66])([CH3:67])[CH3:68])[OH:69])[O:9][CH:10]([n:20]2[c:21](=[O:36])[n:22]([CH2:27][c:28]3[cH:29][cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]3)[c:23](=[O:26])[cH:24][cH:25]2)[CH:11]1[O:12][Si:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])([CH3:70])[CH3:71]