HRID110475

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID11335

2,6-Dimethylphenol

C8H10O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID59321537

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(COc2c(C)cccc2C)noc1C1CCC1

HCID59321517

Ethyl 5-cyclobutyl-3-[(2,6-dimethylphenoxy)methyl]-4-isoxazolecarboxylate

C19H23NO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-836cfe70d3ec432fa0567161c1d7f322
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([OH:9])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH:29]1([c:33]2[c:34]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[c:35]([CH2:38][OH:39])[n:36][o:37]2)[CH2:30][CH2:31][CH2:32]1.[O:45]=[C:46]([O:47][CH:48]([CH3:49])[CH3:50])[N:51]=[N:52][C:53]([O:54][CH:55]([CH3:56])[CH3:57])=[O:58].[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>>[CH3:1][c:2]1[c:3]([O:9][CH2:38][c:35]2[c:34]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[c:33]([CH:29]3[CH2:30][CH2:31][CH2:32]3)[o:37][n:36]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1