HRID141763

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID547712

1,1-Bis(1,1-dimethylethoxy)-N,N,N-trimethylamine

C11H25NO2

结构：O=C(O)c1cc(-c2cccc(F)c2)c(=O)n2c1-c1sccc1CC2

HCID19020416

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1cc(-c2cccc(F)c2)c(=O)n2c1-c1sccc1CC2

HCID19020443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a1360499b1d4ac189a40de71323b6a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([O:5][CH:6]([N:2]([CH3:3])[CH3:4])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])([CH3:7])([CH3:8])[CH3:9].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[O:15]=[c:16]1[n:17]2[c:22]([c:23]([C:33]([OH:34])=[O:35])[cH:24][c:25]1-[c:26]1[cH:27][c:28]([F:32])[cH:29][cH:30][cH:31]1)-[c:21]1[c:20]([cH:38][cH:37][s:36]1)[CH2:19][CH2:18]2>>[O:5]=[C:6]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[c:23]1[c:22]2[n:17]([c:16](=[O:15])[c:25](-[c:26]3[cH:27][c:28]([F:32])[cH:29][cH:30][cH:31]3)[cH:24]1)[CH2:18][CH2:19][c:20]1[c:21]-2[s:36][cH:37][cH:38]1