HRID2325660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID73042

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

C12H20N4O2

HCID10632853

β-Alanine, N-(4-hydroxybenzoyl)-, methyl ester

C11H13NO4

反应SMILES：OC(CC1CCCCC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

HCID53415981

2-Cyclohexyl-1-[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]ethan-1-ol

C21H23F3O

PRODUCTS

产物

反应SMILES：COC(=O)CCNC(=O)c1ccc(OC(CC2CCCCC2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1

HCID67341070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-42bb6e9b30b1403199fce9a527af01c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[CH3:26][O:27][C:28]([CH2:29][CH2:30][NH:31][C:32]([c:33]1[cH:34][cH:35][c:36]([OH:39])[cH:37][cH:38]1)=[O:40])=[O:41].[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[CH:1]1([CH2:7][CH:8]([OH:9])[c:10]2[cH:11][cH:12][c:13](-[c:16]3[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]3)[cH:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[N:61]([C:62]([N:63]1[CH2:64][CH2:65][CH2:66][CH2:67][CH2:68]1)=[O:69])=[N:70][C:71]([N:72]1[CH2:73][CH2:74][CH2:75][CH2:76][CH2:77]1)=[O:78].[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[CH:1]1([CH2:7][CH:8]([O:9][c:36]2[cH:35][cH:34][c:33]([C:32]([NH:31][CH2:30][CH2:29][C:28]([O:27][CH3:26])=[O:41])=[O:40])[cH:38][cH:37]2)[c:10]2[cH:11][cH:12][c:13](-[c:16]3[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]3)[cH:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1