HRID194406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13529

2H-Perfluoro-2-propanol

C3H2F6O

HCID11219321

未命名化合物

HCID20768111

未命名化合物

结构：O=C(O[IH2](OC(=O)C(F)(F)F)c1ccccc1)C(F)(F)F

HCID178526050

未命名化合物

PRODUCTS

生成物

结构：CCCc1cc(Sc2ccc(OCc3ccc(C(F)(F)F)cc3)c(C)c2)ccc1OCC(=O)OCC

HCID59129124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-160fdb461b31409ba14add3c3aa91b6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH2:14][CH2:15][CH3:16])[cH:9][c:10]([SH:13])[cH:11][cH:12]1)=[O:17].[CH3:18][c:19]1[c:20]([O:25][CH2:26][c:27]2[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]2)[cH:21][cH:22][cH:23][cH:24]1.[F:37][C:38]([F:39])([F:40])[C:41]([O:42][IH2:43]([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[O:50][C:51](=[O:52])[C:53]([F:54])([F:55])[F:56])=[O:57].[F:58][C:59]([F:60])([F:61])[CH:62]([OH:63])[C:64]([F:65])([F:66])[F:67]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH2:14][CH2:15][CH3:16])[cH:9][c:10]([S:13][c:23]2[cH:22][cH:21][c:20]([O:25][CH2:26][c:27]3[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]3)[c:19]([CH3:18])[cH:24]2)[cH:11][cH:12]1)=[O:17]