HRID304770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID2363774

2-Chloro-N-(2,6-diisopropylphenyl)acetamide

C14H20ClNO

结构：CCCCCNCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19024425

未命名化合物

PRODUCTS

生成物

结构：CCCCCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID68853185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-078235eae1534b4eb79e042e4f0b3947
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

[CH2:18]([CH2:19][CH2:20][CH2:21][CH3:22])[NH:23][CH2:24][c:25]1[cH:26][cH:27][c:28](-[c:31]2[c:32](-[c:37]3[n:38][n:39][n:40][n:41]3[C:42]([c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)([c:49]3[cH:50][cH:51][cH:52][cH:53][cH:54]3)[c:55]3[cH:56][cH:57][cH:58][cH:59][cH:60]3)[cH:33][cH:34][cH:35][cH:36]2)[cH:29][cH:30]1.[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[Cl:1][CH2:2][C:3](=[O:4])[NH:5][c:6]1[c:7]([CH:15]([CH3:16])[CH3:17])[cH:8][cH:9][cH:10][c:11]1[CH:12]([CH3:13])[CH3:14].[I-:62].[K+:61]>>[CH2:2]([C:3](=[O:4])[NH:5][c:6]1[c:7]([CH:15]([CH3:16])[CH3:17])[cH:8][cH:9][cH:10][c:11]1[CH:12]([CH3:13])[CH3:14])[N:23]([CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[CH2:24][c:25]1[cH:26][cH:27][c:28](-[c:31]2[c:32](-[c:37]3[n:38][n:39][n:40][n:41]3[C:42]([c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)([c:49]3[cH:50][cH:51][cH:52][cH:53][cH:54]3)[c:55]3[cH:56][cH:57][cH:58][cH:59][cH:60]3)[cH:33][cH:34][cH:35][cH:36]2)[cH:29][cH:30]1