HRID682918

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID20083

2-Octanol

C8H18O

HCID75555

未命名化合物

PRODUCTS

生成物

HCID243800

2-Octyl benzoate

C15H22O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5f1587342364cdaa27a45dcbc907494
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:1][CH:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[OH:9].[CH:45]([O:46][C:47]([N:48]=[N:49][C:50]([O:51][CH:52]([CH3:53])[CH3:54])=[O:55])=[O:56])([CH3:57])[CH3:58].[OH2:64].[OH:29][C:30](=[O:31])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[c:10]1([P:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:24][cH:25][cH:26][cH:27][cH:28]1.[c:38]1([CH3:39])[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[CH3:1][CH:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[O:9][C:30](=[O:29])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1