HRID663474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

结构：CN(CC1CCc2c(O)cccc2C1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1

HCID18452650

未命名化合物

PRODUCTS

生成物

结构：CN(CC1CCc2c(cccc2OCC(=O)OC(C)(C)C)C1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1

HCID18452659

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1ce0a3dca48453eb71abf80a0153a38
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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