HRID2339720

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID13831

Tributylphosphine

C12H27P

HCID73042

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

C12H20N4O2

HCID10632853

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

C11H13NO4

结构：CCCCC(O)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1

HCID67342254

α-Butyl-4-[5-(trifluoromethyl)-2-pyridinyl]benzenemethanol

C17H18F3NO

PRODUCTS

生成物

结构：CCCCC(Oc1ccc(C(=O)NCCC(=O)OC)cc1)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1

HCID67343222

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5af92322bff047e8ac040baad9347eee
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

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