HRID1148894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID26255

Tetrafluoroborate

BF4-

2 次

HCID2724934

1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane

C7H14ClFN2+2

结构：CC(C)(C)OC(=O)N1CCN(c2cncc(OCc3cccc(Cl)c3)n2)CC1

HCID69732798

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2nc(OCc3cccc(Cl)c3)cnc2F)CC1

HCID69730739

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9f1178f26ff464da9e43ffa17c0c655
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

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