HRID1542639

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

HCID56971749

2,6-Dimethyl-4'-(trifluoromethyl)[1,1'-biphenyl]-4-ol

C15H13F3O

HCID67486038

未命名化合物

PRODUCTS

生成物

结构：C=CCC(CC=C)(COc1cc(C)c(-c2ccc(C(F)(F)F)cc2)c(C)c1)c1ccc(C(=O)OC)cc1

HCID67485717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01c1ac97667146af94dcc93d0bcfa51b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([C:10]([CH2:11][CH:12]=[CH2:13])([CH2:14][OH:15])[CH2:16][CH:17]=[CH2:18])[cH:8][cH:9]1)=[O:19].[CH3:20][c:21]1[c:22](-[c:29]2[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]2)[c:23]([CH3:28])[cH:24][c:25]([OH:27])[cH:26]1.[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[CH3:83][OH:84].[N:58]([C:59]([N:60]1[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]1)=[O:66])=[N:67][C:68]([N:69]1[CH2:70][CH2:71][CH2:72][CH2:73][CH2:74]1)=[O:75].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([C:10]([CH2:11][CH:12]=[CH2:13])([CH2:14][O:15][c:25]2[cH:24][c:23]([CH3:28])[c:22](-[c:29]3[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]3)[c:21]([CH3:20])[cH:26]2)[CH2:16][CH:17]=[CH2:18])[cH:8][cH:9]1)=[O:19]