HRID198889

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID602753

未命名化合物

结构：CC(C)(C)c1cc(C(C)(C)C)c2c(c1)C(O)(C(F)(F)F)C(=O)O2

HCID4332683

3-Hydroxy-5,7-bis(2-methyl-2-propanyl)-3-(trifluoromethyl)-1-benzofuran-2(3H)-one

C17H21F3O3

PRODUCTS

生成物

结构：CC(c1cccc2ccccc12)N1C(=O)OC(c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)(C(F)(F)F)C1=O

HCID178435680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-baf28114c4d64be5b106d3d4e9b04ae9
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

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