HRID683613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID28179

Fluoride

F-

HCID67674

1-Bromo-2,4-difluorobenzene

C6H3BrF2

HCID104967

Cesium(1+)

Cs+

结构：O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(OS(=O)(=O)C(F)(F)F)ccc2cc(OCc3ccccc3)ccc12

HCID57552555

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(F)cc2F)ccc2cc(OCc3ccccc3)ccc12

HCID57552519

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-438f655c3baf44a5b0127a5cca43175c
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:46][c:47]1[c:48]([F:54])[cH:49][c:50]([F:53])[cH:51][cH:52]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]2[cH:12][cH:13][c:14]([O:36][S:37]([C:38]([F:39])([F:40])[F:41])(=[O:42])=[O:43])[c:15]([C:19]([c:20]3[cH:21][cH:22][c:23]([O:26][CH2:27][CH2:28][N:29]4[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]4)[cH:24][cH:25]3)=[O:35])[c:16]2[cH:17][cH:18]1.[CH3:55][C:56]#[N:57].[Cs+:45].[F-:44]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]2[cH:12][cH:13][c:14](-[c:47]3[c:48]([F:54])[cH:49][c:50]([F:53])[cH:51][cH:52]3)[c:15]([C:19]([c:20]3[cH:21][cH:22][c:23]([O:26][CH2:27][CH2:28][N:29]4[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]4)[cH:24][cH:25]3)=[O:35])[c:16]2[cH:17][cH:18]1