HRID1209515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)c1nc(N2CCc3cccc(C(=O)N(COCC[Si](C)(C)C)c4nc5ccccc5s4)c3C2)sc1C#CCO

HCID59447560

未命名化合物

结构：COC(=O)c1nc(N2CCc3cccc(C(=O)N(COCC[Si](C)(C)C)c4nc5ccccc5s4)c3C2)sc1I

HCID59447651

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1nc(N2CCc3cccc(C(=O)N(COCC[Si](C)(C)C)c4nc5ccccc5s4)c3C2)sc1C#CCO

HCID59447677

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb07ea2b17a04a47b235c64668e9b43d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[s:1]1[c:2]([N:10]([C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][c:17]3[c:22]2[CH2:21][N:20]([c:23]2[s:24][c:25]([C:33]#[C:34][CH2:35][OH:36])[c:26]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[n:27]2)[CH2:19][CH2:18]3)[CH2:37][O:38][CH2:39][CH2:40][Si:41]([CH3:42])([CH3:43])[CH3:44])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2.[s:45]1[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][c:53]1[N:54]([CH2:55][O:56][CH2:57][CH2:58][Si:59]([CH3:60])([CH3:61])[CH3:62])[C:63]([c:64]1[cH:65][cH:66][cH:67][c:68]2[c:69]1[CH2:70][N:71]([c:72]1[s:73][c:74]([I:75])[c:76]([C:77]([O:78][CH3:79])=[O:80])[n:81]1)[CH2:82][CH2:83]2)=[O:84]>>[s:1]1[c:2]([N:10]([C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][c:17]3[c:22]2[CH2:21][N:20]([c:23]2[s:24][c:25]([C:33]#[C:34][CH2:35][OH:36])[c:26]([C:28](=[O:29])[O:30][CH3:31])[n:27]2)[CH2:19][CH2:18]3)[CH2:37][O:38][CH2:39][CH2:40][Si:41]([CH3:42])([CH3:43])[CH3:44])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2