HRID180826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID11357162

4'-Pentyl[1,1'-bi(cyclohexane)]-4-one

C17H30O

HCID14949941

1-(2-Bromoethyl)-4-(trifluoromethyl)benzene

C9H8BrF3

结构：CCCCCC1CCC(C2CCC(O)(CCc3ccc(C(F)(F)F)cc3)CC2)CC1

HCID22908545

未命名化合物

PRODUCTS

生成物

结构：CCCCCC1CCC(C2CC=C(CCc3ccc(C(F)(F)F)cc3)CC2)CC1

HCID22908546

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4d6145802494fc9acfeaa6c83cc50f8
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

[CH2:14]([CH:15]1[CH2:16][CH2:17][CH:18]([CH:19]2[CH2:20][CH2:21][C:22](=[O:23])[CH2:24][CH2:25]2)[CH2:26][CH2:27]1)[CH2:28][CH2:29][CH2:30][CH3:31].[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[CH3:71][CH2:72][O:73][CH2:74][CH3:75].[Cl-:32].[F:1][C:2]([F:3])([F:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][CH2:10][Br:11])[cH:12][cH:13]1.[F:34][C:35]([c:36]1[cH:37][cH:38][c:39]([CH2:42][CH2:43][C:44]2([OH:61])[CH2:45][CH2:46][CH:47]([CH:50]3[CH2:51][CH2:52][CH:53]([CH2:56][CH2:57][CH2:58][CH2:59][CH3:60])[CH2:54][CH2:55]3)[CH2:48][CH2:49]2)[cH:40][cH:41]1)([F:62])[F:63].[NH4+:33]>>[F:34][C:35]([c:36]1[cH:37][cH:38][c:39]([CH2:42][CH2:43][C:44]2=[CH:45][CH2:46][CH:47]([CH:50]3[CH2:51][CH2:52][CH:53]([CH2:56][CH2:57][CH2:58][CH2:59][CH3:60])[CH2:54][CH2:55]3)[CH2:48][CH2:49]2)[cH:40][cH:41]1)([F:62])[F:63]