HRID2318454

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID13831

Tributylphosphine

C12H27P

HCID7019368

Methyl 3-fluoro-4-hydroxybenzoate

C8H7FO3

结构：CCCCCCC(O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1

HCID59729426

未命名化合物

PRODUCTS

生成物

结构：CCCCCCC(Oc1ccc(C(=O)OC)cc1F)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1

HCID67342037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9f16e36675b495dad033b1d3c24b1a2
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

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