HRID302010

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID26255

Tetrafluoroborate

BF4-

HCID78953

1,4-Pentanediamine, N1,N1-diethyl-

C9H22N2

结构：CSc1n(N=Cc2ccc(N(C)C)cc2)cc[n+]1N=Cc1ccc(N(C)C)cc1

HCID54361772

未命名化合物

PRODUCTS

生成物

HCID26255

Tetrafluoroborate

BF4-

结构：CCN(CC)CCCC(C)Nc1n(N=Cc2ccc(N(C)C)cc2)cc[n+]1N=Cc1ccc(N(C)C)cc1

HCID54050706

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14836431f46e49109eb73107286f1c0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[B-:1]([F:2])([F:3])([F:4])[F:5].[CH3:46][C:47]#[N:48].[CH3:6][N:7]([c:8]1[cH:9][cH:10][c:11]([CH:12]=[N:13][n+:14]2[c:15]([S:30][CH3:31])[n:16]([N:19]=[CH:20][c:21]3[cH:22][cH:23][c:24]([N:27]([CH3:28])[CH3:29])[cH:25][cH:26]3)[cH:17][cH:18]2)[cH:32][cH:33]1)[CH3:34].[NH2:35][CH:36]([CH3:37])[CH2:38][CH2:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45]>>[B-:1]([F:2])([F:3])([F:4])[F:5].[CH3:6][N:7]([c:8]1[cH:9][cH:10][c:11]([CH:12]=[N:13][n+:14]2[c:15]([NH:35][CH:36]([CH3:37])[CH2:38][CH2:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45])[n:16]([N:19]=[CH:20][c:21]3[cH:22][cH:23][c:24]([N:27]([CH3:28])[CH3:29])[cH:25][cH:26]3)[cH:17][cH:18]2)[cH:32][cH:33]1)[CH3:34]