HRID688876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8255

Isobutene

C4H8

HCID8857

Ethyl acetate

C4H8O2

HCID76583

3-Bromobenzaldehyde

C7H5BrO

HCID105055

Ytterbium(3+)

Yb+3

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

3 次

HCID7010316

4-Amino-3-methylbenzonitrile

C8H8N2

PRODUCTS

生成物

结构：Cc1cc(C#N)cc2c1NC(c1cccc(Br)c1)CC2(C)C

HCID67289987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-625544254cc94dfeb932292b79768a6c
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

[Br:11][c:12]1[cH:13][c:14]([CH:15]=[O:16])[cH:17][cH:18][cH:19]1.[CH2:20]=[C:21]([CH3:22])[CH3:23].[CH3:49][C:50]#[N:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[F:24][C:25]([F:26])([F:27])[S:28]([O-:29])(=[O:30])=[O:31].[F:33][C:34]([F:35])([F:36])[S:37]([O-:38])(=[O:39])=[O:40].[F:41][C:42]([F:43])([F:44])[S:45]([O-:46])(=[O:47])=[O:48].[NH2:1][c:2]1[c:3]([CH3:10])[cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1.[Yb+3:32]>>[NH:1]1[c:2]2[c:3]([CH3:10])[cH:4][c:5]([C:6]#[N:7])[cH:8][c:9]2[C:21]([CH3:22])([CH3:23])[CH2:20][CH:15]1[c:14]1[cH:13][c:12]([Br:11])[cH:19][cH:18][cH:17]1