HRID662408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：C=CCCCCCCC(CCCCC(F)(F)C(F)(F)F)C(=O)OCC

HCID18546254

未命名化合物

结构：CCC1(c2ccc(O)cc2)COc2cc(O)ccc2C1CCCCCCCCCC(CCCCCCC(F)(F)C(F)(F)F)C(=O)O

HCID18546264

未命名化合物

PRODUCTS

生成物

结构：CCC1(c2ccc(O)cc2)COc2cc(O)ccc2C1CCCCCCCCCC(CCCCC(F)(F)C(F)(F)F)C(=O)O

HCID18546283

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c8df41f2d154b7092a00ed9884f5b80
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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