HRID1134127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID6054

2-Phenylethanol

C8H10O

HCID6395

Methanesulfonic acid

CH4O3S

结构：CC(C)CCCCCCCOP(OCCCCCCCC(C)C)OCCCCCCCC(C)C

HCID117488

Tris(8-methylnonyl) phosphite

C30H63O3P

PRODUCTS

生成物

HCID7194

2-Phenylethyl benzoate

C15H14O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0daca3359414f6588b5fd6fb3362f77
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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