HRID183008

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID2783357

3-Fluoro-4-(trifluoromethoxy)phenol

C7H4F4O2

HCID12700036

4-(4-Propylcyclohexyl)benzoyl chloride

C16H21ClO

PRODUCTS

生成物

结构：CCCC1CCC(c2ccc(C(=O)Oc3ccc(OC(F)(F)F)c(F)c3)cc2)CC1

HCID54035352

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98e64a2731d846f1be86577677e294af
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

[CH2:27]([CH2:28][CH3:29])[CH:30]1[CH2:31][CH2:32][CH:33]([c:36]2[cH:37][cH:38][c:39]([C:40](=[O:41])[Cl:42])[cH:43][cH:44]2)[CH2:34][CH2:35]1.[CH3:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[F:1][c:2]1[cH:3][c:4]([OH:13])[cH:5][cH:6][c:7]1[O:8][C:9]([F:10])([F:11])[F:12].[OH2:45].[cH:14]1[cH:15][cH:16][n:17][cH:18][cH:19]1>>[F:1][c:2]1[cH:3][c:4]([O:13][C:40]([c:39]2[cH:38][cH:37][c:36]([CH:33]3[CH2:32][CH2:31][CH:30]([CH2:27][CH2:28][CH3:29])[CH2:35][CH2:34]3)[cH:44][cH:43]2)=[O:41])[cH:5][cH:6][c:7]1[O:8][C:9]([F:10])([F:11])[F:12]