HRID189750

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7358

2-Ethyl-1-butanol

C6H14O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID69516883

未命名化合物

HCID86599450

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)COc1ccc2c(c1C)OC(C(F)(F)F)C(C(=O)OC)=C2

HCID69517745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fde1f8e5f3a64db58a0bbbcabb5a78e9
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

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