HRID1574752

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

HCID266280

2-(Chloromethyl)-5,6-dimethyl-1H-benzimidazole

C10H11ClN2

结构：O=C1c2ccccc2C(=O)N1CCCCNC1CCCc2cccnc21

HCID58997137

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2nc(CN(CCCCN3C(=O)c4ccccc4C3=O)C3CCCc4cccnc43)[nH]c2cc1C

HCID69177661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6abc0b09abb947fd92183f44f001aba9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:51][C:52]#[N:53].[CH:27]([N:28]([CH:29]([CH3:30])[CH3:31])[CH2:32][CH3:33])([CH3:34])[CH3:35].[Cl:38][CH2:39][c:40]1[n:41][c:42]2[c:43]([nH:44]1)[cH:45][c:46]([CH3:50])[c:47]([CH3:49])[cH:48]2.[I-:37].[K+:36].[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])[CH2:39][c:40]1[nH:41][c:42]3[c:43]([n:44]1)[cH:45][c:46]([CH3:50])[c:47]([CH3:49])[cH:48]3)[CH2:8][CH2:7][CH2:6]2