HRID202057

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

HCID2733160

1-Hydroxy-1-cyclopropanecarboxylic acid

C4H6O3

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

HCID66742759

未命名化合物

PRODUCTS

生成物

结构：O=C(N1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C2=O)C1(O)CC1

HCID59577931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-386fb5b587e14e89b2f98b53a776d3d7
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

[B-:1]([F:2])([F:3])([F:4])[F:5].[C:23]([OH:24])(=[O:25])[CH3:26].[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].[OH:49][C:50]1([C:53](=[O:54])[OH:55])[CH2:51][CH2:52]1.[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:53]([C:50]2([OH:49])[CH2:51][CH2:52]2)=[O:54])[CH2:44][CH2:45]3)[cH:34][cH:35]1)([F:47])[F:48]