HRID697870

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID583785

1-(4-(BROMOMETHYL)PHENYL)ETHANONE

C9H9BrO

结构：O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCNCC1Cc1c[nH]c2ccccc12

HCID21978777

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1ccc(CN2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(Cc3c[nH]c4ccccc34)C2)cc1

HCID178466588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-916f4f28efde40ee977de2777abc14ee
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:33][CH2:34][c:35]1[cH:36][cH:37][c:38]([C:41]([CH3:42])=[O:43])[cH:39][cH:40]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:50][C:51]#[N:52].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:14][c:15]3[cH:16][nH:17][c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]34)[CH2:10][NH:11][CH2:12][CH2:13]2)[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1)([F:31])[F:32].[K+:48].[K+:49]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:14][c:15]3[cH:16][nH:17][c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]34)[CH2:10][N:11]([CH2:34][c:35]3[cH:36][cH:37][c:38]([C:41]([CH3:42])=[O:43])[cH:39][cH:40]3)[CH2:12][CH2:13]2)[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1)([F:31])[F:32]