HRID1131946

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

HCID11454

Benzene, (1-bromoethyl)-

C8H9Br

HCID67339367

未命名化合物

PRODUCTS

产物

HCID24962060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4bf3dade251046bfaf2e70c940697958
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[Br:33][CH:34]([CH3:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Br:8][c:9]1[c:10]([O:22][c:23]2[c:24]([CH3:32])[cH:25][c:26]([C:27]#[N:28])[cH:29][c:30]2[CH3:31])[n:11][c:12]([NH:15][CH:16]2[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]2)[n:13][cH:14]1.[CH3:42][C:43]#[N:44].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[Br:8][c:9]1[c:10]([O:22][c:23]2[c:24]([CH3:32])[cH:25][c:26]([C:27]#[N:28])[cH:29][c:30]2[CH3:31])[n:11][c:12]([NH:15][CH:16]2[CH2:17][CH2:18][N:19]([CH:34]([CH3:35])[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[CH2:20][CH2:21]2)[n:13][cH:14]1