HRID682153

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID105055

Ytterbium(3+)

Yb+3

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

3 次

HCID16099239

未命名化合物

结构：Cc1cc(N)c2cnn(-c3cccc(C(=O)OCc4ccccc4)c3)c2c1

HCID59010011

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cc(C)cc2c1cnn2-c1cccc(C(=O)OCc2ccccc2)c1)C(F)(F)F

HCID59010008

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99e34baa91f147d3925ccbdde540e40d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:73][C:74]#[N:75].[F:1][c:2]1[cH:3][cH:4][c:5]([O:19][CH3:20])[c:6]([C:8]([CH2:9][C:10]2([C:13]([F:14])([F:15])[F:16])[O:11][CH2:12]2)([CH3:17])[CH3:18])[cH:7]1.[NH2:21][c:22]1[c:23]2[cH:24][n:25][n:26](-[c:32]3[cH:33][c:34]([C:35](=[O:36])[O:37][CH2:38][c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[cH:45][cH:46][cH:47]3)[c:27]2[cH:28][c:29]([CH3:31])[cH:30]1.[S:48]([O-:49])([C:50]([F:51])([F:52])[F:53])(=[O:54])=[O:55].[S:57]([O-:58])([C:59]([F:60])([F:61])[F:62])(=[O:63])=[O:64].[S:65]([O-:66])([C:67]([F:68])([F:69])[F:70])(=[O:71])=[O:72].[Yb+3:56]>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:19][CH3:20])[c:6]([C:8]([CH2:9][C:10]([OH:11])([CH2:12][NH:21][c:22]2[c:23]3[cH:24][n:25][n:26](-[c:32]4[cH:33][c:34]([C:35](=[O:36])[O:37][CH2:38][c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[cH:45][cH:46][cH:47]4)[c:27]3[cH:28][c:29]([CH3:31])[cH:30]2)[C:13]([F:14])([F:15])[F:16])([CH3:17])[CH3:18])[cH:7]1