HRID829616

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID264

Butanoic acid

C4H8O2

HCID1031

1-Propanol

C3H8O

HCID6395

Methanesulfonic acid

CH4O3S

HCID8008

Butanenitrile

C4H7N

结构：CCOC(=O)CC(c1ccc(OC)cc1)c1cccc(C(F)(F)F)c1

HCID16737857

未命名化合物

结构：COc1ccc(C(CCC(=O)O)c2cccc(C(F)(F)F)c2)cc1

HCID54184919

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)C(=O)CCC2c1cccc(C(F)(F)F)c1

HCID20545911

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-473230d790294505851b5e150fda2df8
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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