HRID109247

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1068

Dimethyl sulfide

C2H6S

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

结构：CC(=O)CC(O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

HCID20278399

4-Hydroxy-5-{4-[4-(trifluoromethyl)phenoxy]phenoxy}hexan-2-one

C19H19F3O4

PRODUCTS

生成物

HCID20278369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a5250e2a75d4863ace679a4f0108ca8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:9][S:10][CH3:11].[Cl:1][N:2]1[C:3](=[O:4])[CH2:5][CH2:6][C:7]1=[O:8].[OH:12][CH:13]([CH2:14][C:15]([CH3:16])=[O:17])[CH:18]([CH3:19])[O:20][c:21]1[cH:22][cH:23][c:24]([O:27][c:28]2[cH:29][cH:30][c:31]([C:34]([F:35])([F:36])[F:37])[cH:32][cH:33]2)[cH:25][cH:26]1>>[O:12]=[C:13]([CH2:14][C:15]([CH3:16])=[O:17])[CH:18]([CH3:19])[O:20][c:21]1[cH:22][cH:23][c:24]([O:27][c:28]2[cH:29][cH:30][c:31]([C:34]([F:35])([F:36])[F:37])[cH:32][cH:33]2)[cH:25][cH:26]1