HRID194865

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID73042

1,1′-(1,2-Diazenediyl)bis[1-(1-piperidinyl)methanone]

C12H20N4O2

HCID15541180

4'-(Trifluoromethyl)[1,1'-biphenyl]-4-ol

C13H9F3O

HCID67485860

未命名化合物

PRODUCTS

生成物

结构：C=CCC(CC=C)(COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(Br)cc1

HCID67485715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9aec5e9873de498cbe252fcde7c82295
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

[CH2:1]([CH:2]=[CH2:3])[C:4]([CH2:5][OH:6])([CH2:7][CH:8]=[CH2:9])[c:10]1[cH:11][cH:12][c:13]([Br:16])[cH:14][cH:15]1.[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[CH3:78][OH:79].[F:17][C:18]([c:19]1[cH:20][cH:21][c:22](-[c:25]2[cH:26][cH:27][c:28]([OH:31])[cH:29][cH:30]2)[cH:23][cH:24]1)([F:32])[F:33].[N:53]([C:54]([N:55]1[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1)=[O:61])=[N:62][C:63]([N:64]1[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1)=[O:70].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH2:1]([CH:2]=[CH2:3])[C:4]([CH2:5][O:6][c:28]1[cH:27][cH:26][c:25](-[c:22]2[cH:21][cH:20][c:19]([C:18]([F:17])([F:32])[F:33])[cH:24][cH:23]2)[cH:30][cH:29]1)([CH2:7][CH:8]=[CH2:9])[c:10]1[cH:11][cH:12][c:13]([Br:16])[cH:14][cH:15]1