HRID1144497

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID24386

Thionyl chloride

Cl2OS

HCID20505670

未命名化合物

HCID57892527

未命名化合物

PRODUCTS

生成物

结构：CC(O)(c1ccc(C(=O)N(CC(F)(F)F)C2CCCCC2)cc1)C(F)(F)F

HCID15987309

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7f0119b100b41798645a89c2dd7d6ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[Cl-:27].[ClH:40].[F:1][C:2]([C:3]([CH3:4])([OH:5])[c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14]1)([F:15])[F:16].[F:28][C:29]([CH2:30][NH:31][CH:32]1[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1)([F:38])[F:39].[OH2:41].[S:23]([Cl:24])([Cl:25])=[O:26].[cH:17]1[cH:18][cH:19][n:20][cH:21][cH:22]1>>[F:1][C:2]([C:3]([CH3:4])([OH:5])[c:6]1[cH:7][cH:8][c:9]([C:10](=[O:12])[N:31]([CH2:30][C:29]([F:28])([F:38])[F:39])[CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]2)[cH:13][cH:14]1)([F:15])[F:16]