HRID1221726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)Nc1ccc(C#CCCCBr)cc1

HCID58505295

未命名化合物

结构：CC(C)(C)[Si](C)(C)OC(CNCCCC#Cc1ccc(NC(=O)C(F)(F)F)cc1)c1ccc(O)c2[nH]c(=O)ccc12

HCID87227381

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)Nc1ccc(C#CCCCNCC(O[Si](C)(C)C(C)(C)C)c2ccc(O)c3[nH]c(=O)ccc23)cc1

HCID66989630

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-045cdec430994a7aa45d0ad554e3ecd4
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

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