HRID197154

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-

HCID17860717

未命名化合物

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(F)cc(F)cc1F)Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID68851372

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-865f3f1a66d14d4e841cc929e3abd28d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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