HRID299237

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)Nc5ccc(C#CCCC=O)cc5C)c4)cc23)c1

HCID86659119

未命名化合物

结构：COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)NCCCCCCCCNCC(O[Si](C)(C)C(C)(C)C)c5ccc(O)c6[nH]c(=O)ccc56)c4)cc23)c1

HCID178490959

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)Nc5ccc(C#CCCCNCC(O[Si](C)(C)C(C)(C)C)c6ccc(O)c7[nH]c(=O)ccc67)cc5C)c4)cc23)c1

HCID87226294

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c18ffcb188a4294966d625922ee90cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][NH:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][NH:18][C:19]([c:20]1[cH:21][c:22]([S:23]([c:24]2[cH:25][c:26]3[c:27]([c:28]([CH3:29])[cH:30]2)[n:31][cH:32][c:33]([C:34]([NH2:35])=[O:36])[c:37]3[NH:38][c:39]2[cH:40][cH:41][cH:42][c:43]([O:44][CH3:45])[cH:46]2)(=[O:47])=[O:48])[cH:49][cH:50][cH:51]1)=[O:52])[c:53]1[c:54]2[cH:55][cH:56][c:57](=[O:64])[nH:58][c:59]2[c:60]([OH:63])[cH:61][cH:62]1)([CH3:65])[CH3:66].[CH3:67][O:68][c:69]1[cH:70][c:71]([NH:75][c:76]2[c:77]([C:112](=[O:113])[NH2:114])[cH:78][n:79][c:80]3[c:81]([CH3:111])[cH:82][c:83]([S:86](=[O:87])(=[O:88])[c:89]4[cH:90][c:91]([C:95]([NH:96][c:97]5[c:98]([CH3:109])[cH:99][c:100]([C:103]#[C:104][CH2:105][CH2:106][CH:107]=[O:108])[cH:101][cH:102]5)=[O:110])[cH:92][cH:93][cH:94]4)[cH:84][c:85]23)[cH:72][cH:73][cH:74]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][NH:9][CH2:10][CH2:11][CH2:12][C:13]#[C:103][c:100]1[cH:99][c:98]([CH3:109])[c:97]([NH:96][C:95]([c:91]2[cH:90][c:89]([S:86]([c:83]3[cH:82][c:81]([CH3:111])[c:80]4[n:79][cH:78][c:77]([C:112](=[O:113])[NH2:114])[c:76]([NH:75][c:71]5[cH:70][c:69]([O:68][CH3:67])[cH:74][cH:73][cH:72]5)[c:85]4[cH:84]3)(=[O:87])=[O:88])[cH:94][cH:93][cH:92]2)=[O:110])[cH:102][cH:101]1)[c:53]1[c:54]2[cH:55][cH:56][c:57](=[O:64])[nH:58][c:59]2[c:60]([OH:63])[cH:61][cH:62]1)([CH3:65])[CH3:66]