HRID156140

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)[Si](C)(C)OC(CN)c1ccc(O)c2[nH]c(=O)ccc12

HCID21880602

未命名化合物

结构：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(CC(C)(C)NCC(O)c2ccc(OCc3ccccc3)c(CO)c2)c1

HCID66989986

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(CC(C)(C)NCC(O)c2ccc(O)c(CO)c2)c1

HCID66989424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f94d977a92894acbb5999dca3a4885db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[O:31][c:32]1[c:33]([CH2:76][OH:77])[cH:34][c:35]([CH:38]([CH2:39][NH:40][C:41]([CH2:42][c:43]2[cH:44][c:45]([C:46](=[O:47])[NH:48][CH2:49][c:50]3[c:51]([NH:63][CH:64]4[CH2:65][CH2:66][O:67][CH2:68][CH2:69]4)[c:52]4[c:53]([n:54][c:55]3[CH2:56][CH3:57])[n:58]([CH2:61][CH3:62])[n:59][cH:60]4)[cH:70][cH:71][cH:72]2)([CH3:73])[CH3:74])[OH:75])[cH:36][cH:37]1.[NH2:1][CH2:2][CH:3]([c:4]1[cH:5][cH:6][c:7]([OH:8])[c:9]2[c:10]1[cH:11][cH:12][c:13](=[O:14])[nH:15]2)[O:16][Si:17]([C:18]([CH3:19])([CH3:20])[CH3:21])([CH3:22])[CH3:23]>>[OH:31][c:32]1[c:33]([CH2:76][OH:77])[cH:34][c:35]([CH:38]([CH2:39][NH:40][C:41]([CH2:42][c:43]2[cH:44][c:45]([C:46](=[O:47])[NH:48][CH2:49][c:50]3[c:51]([NH:63][CH:64]4[CH2:65][CH2:66][O:67][CH2:68][CH2:69]4)[c:52]4[c:53]([n:54][c:55]3[CH2:56][CH3:57])[n:58]([CH2:61][CH3:62])[n:59][cH:60]4)[cH:70][cH:71][cH:72]2)([CH3:73])[CH3:74])[OH:75])[cH:36][cH:37]1