HRID1223170

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID84944

Propanoyl chloride, 3-bromo-

C3H4BrClO

结构：NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1

HCID22038390

未命名化合物

PRODUCTS

生成物

结构：O=C(CCBr)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1

HCID22038202

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2683353c2df43ce97de72a531922b71
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:27][CH2:28][CH2:29][C:30](=[O:31])[Cl:32].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][C:41]#[N:42].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([n:14]3[cH:15][cH:16][c:17]4[cH:18][cH:19][c:20]([CH2:23][NH2:24])[cH:21][c:22]34)[CH2:12][CH2:13]2)[cH:25][cH:26]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([n:14]3[cH:15][cH:16][c:17]4[cH:18][cH:19][c:20]([CH2:23][NH:24][C:30]([CH2:29][CH2:28][Br:27])=[O:31])[cH:21][c:22]34)[CH2:12][CH2:13]2)[cH:25][cH:26]1