HRID284856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6342

Acetonitrile

C2H3N

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID14096340

2-(Chloromethyl)-6-(trifluoromethyl)-1H-benzimidazole

C9H6ClF3N2

结构：O=C1c2ccccc2C(=O)N1CCCCNC1CCCc2cccnc21

HCID58997137

未命名化合物

PRODUCTS

生成物

结构：O=C1c2ccccc2C(=O)N1CCCCN(Cc1nc2cc(C(F)(F)F)ccc2[nH]1)C1CCCc2cccnc21

HCID178514996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-731719d5b7414a11bb8dd7bfa70dcf6d
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

[CH3:53][C:54]#[N:55].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:27][CH2:28][c:29]1[n:30][c:31]2[c:32]([nH:33]1)[cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]2.[I-:52].[K+:51].[n:1]1[cH:2][cH:3][cH:4][c:5]2[c:10]1[CH:9]([NH:11][CH2:12][CH2:13][CH2:14][CH2:15][N:16]1[C:17](=[O:26])[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[C:24]1=[O:25])[CH2:8][CH2:7][CH2:6]2>>[n:1]1[cH:2][cH:3][cH:4][c:5]2[c:10]1[CH:9]([N:11]([CH2:12][CH2:13][CH2:14][CH2:15][N:16]1[C:17](=[O:26])[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[C:24]1=[O:25])[CH2:28][c:29]1[nH:30][c:31]3[c:32]([n:33]1)[cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]3)[CH2:8][CH2:7][CH2:6]2