HRID2131952

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COCC(OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)cc2cn(COCC[Si](C)(C)C)nc12

HCID57545988

未命名化合物

结构：COC(=O)C(OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)cc2cn[nH]c12

HCID57546152

未命名化合物

PRODUCTS

生成物

结构：COCC(OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)cc2cn[nH]c12

HCID57546214

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29f33cd048374c18a445aeb7ba729b3f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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