HRID944457

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID15829159

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

C13H15ClN2O2

HCID59694102

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1c(CN(CCn2ccnc2)C2CCCc3cccnc32)nc2ccccc21

HCID59694184

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d9c2f6f279f4a118140c9114b53a874
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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