HRID189219

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID105055

Ytterbium(3+)

Yb+3

HCID120144

2,4-Pyridinedicarbonitrile

C7H3N3

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

3 次

HCID9813897

未命名化合物

PRODUCTS

生成物

结构：CC1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)nc1

HCID178432543

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98edb5d75690471ab26d916e2f216748
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](#[N:2])[c:3]1[n:4][cH:5][cH:6][c:7]([C:9]#[N:10])[cH:8]1.[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[F:11][C:12]([F:13])([F:14])[S:15]([O-:16])(=[O:17])=[O:18].[F:20][C:21]([F:22])([F:23])[S:24]([O-:25])(=[O:26])=[O:27].[F:28][C:29]([F:30])([F:31])[S:32]([O-:33])(=[O:34])=[O:35].[F:36][c:37]1[cH:38][cH:39][c:40]([C:43]([CH:44]([CH3:45])[NH2:46])([NH2:47])[c:48]2[cH:49][n:50][c:51]([F:54])[cH:52][cH:53]2)[cH:41][cH:42]1.[Yb+3:19]>>[C:1]1([c:3]2[n:4][cH:5][cH:6][c:7]([C:9]#[N:10])[cH:8]2)=[N:2][C:43]([c:40]2[cH:39][cH:38][c:37]([F:36])[cH:42][cH:41]2)([c:48]2[cH:49][n:50][c:51]([F:54])[cH:52][cH:53]2)[CH:44]([CH3:45])[NH:46]1