HRID310634

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID517213

Isopropoxyacetic acid

C5H10O3

结构：O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCNCC2

HCID66742759

未命名化合物

PRODUCTS

生成物

结构：CC(C)OCC(=O)N1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C2=O

HCID59578040

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a83f41ba2656405db5388c48ae8ee7c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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