HRID2324004

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID39129

Methyl 3-hydroxyphenylacetate

C9H10O3

反应SMILES：COC(=O)Cc1cccc(OC(COc2cccc(C(OCc3ccc(OC)cc3)(C(F)(F)F)C(F)(F)F)c2)c2ccccc2)c1

HCID87605098

未命名化合物

反应SMILES：COc1ccc(COC(c2cccc(OCC(O)c3ccccc3)c2)(C(F)(F)F)C(F)(F)F)cc1

HCID87605889

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)Cc1cccc(OC(COc2cccc(C(O)(C(F)(F)F)C(F)(F)F)c2)c2ccccc2)c1

HCID11613415

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-01f59c9a63184dc6a1a2243f23a6f236
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[CH3:36][O:37][C:38](=[O:39])[CH2:40][c:41]1[cH:42][cH:43][cH:44][c:45]([OH:46])[cH:47]1.[CH3:48][O:49][C:50]([CH2:51][c:52]1[cH:53][c:54]([O:58][CH:59]([CH2:60][O:61][c:62]2[cH:63][c:64]([C:68]([C:69]([F:70])([F:71])[F:72])([C:73]([F:74])([F:75])[F:76])[O:77][CH2:78][c:79]3[cH:80][cH:81][c:82]([O:83][CH3:84])[cH:85][cH:86]3)[cH:65][cH:66][cH:67]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:55][cH:56][cH:57]1)=[O:93].[c:1]1([CH:2]([OH:3])[CH2:4][O:5][c:6]2[cH:7][cH:8][cH:9][c:10]([C:11]([O:12][CH2:13][c:14]3[cH:15][cH:16][c:17]([O:18][CH3:19])[cH:20][cH:21]3)([C:22]([F:23])([F:24])[F:25])[C:26]([F:27])([F:28])[F:29])[cH:30]2)[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH3:48][O:49][C:50]([CH2:51][c:52]1[cH:53][c:54]([O:58][CH:59]([CH2:60][O:61][c:62]2[cH:63][c:64]([C:68]([C:69]([F:70])([F:71])[F:72])([C:73]([F:74])([F:75])[F:76])[OH:77])[cH:65][cH:66][cH:67]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:55][cH:56][cH:57]1)=[O:93]