HRID2325841

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

HCID15829159

tert-Butyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate

C13H15ClN2O2

结构：CC(C)(C)OC(=O)NC1CCC(NC2CCCc3cccnc32)CC1

HCID53485806

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCC(N(Cc2nc3ccccc3n2C(=O)OC(C)(C)C)C2CCCc3cccnc32)CC1

HCID69294609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c819c5d0aa5c46c28a4cf5cd4e7712a3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([NH:14][CH:15]2[CH2:16][CH2:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][n:23][c:24]32)[CH2:12][CH2:13]1)=[O:25].[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31](=[O:32])[n:33]1[c:34]([CH2:42][Cl:43])[n:35][c:36]2[c:37]1[cH:38][cH:39][cH:40][cH:41]2.[CH3:55][C:56]#[N:57].[CH:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH2:49][CH3:50])([CH3:51])[CH3:52].[I-:54].[K+:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([N:14]([CH:15]2[CH2:16][CH2:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][n:23][c:24]32)[CH2:42][c:34]2[n:33]([C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[c:37]3[c:36]([n:35]2)[cH:41][cH:40][cH:39][cH:38]3)[CH2:12][CH2:13]1)=[O:25]