HRID1229997

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID1140

Toluene

C7H8

结构：CCOC(=O)C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1

HCID79792

Ethyl 2-(triphenylphosphoranylidene)propionate

C23H23O2P

HCID88655

Cyclohexanecarboxaldehyde, 4-(1,1-dimethylethyl)-

C11H20O

PRODUCTS

生成物

HCID56989205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ac5a9ff77ac4fbe86c16ab5b307e9c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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