HRID2124730

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID2724577

Pyridinium, 1-fluoro-

C5H5FN+

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

结构：COC(=O)Cc1cc(C(=O)c2ccc3cc(-c4ccccc4)n(CCCCN4C(=O)c5ccccc5C4=O)c3c2)sc1Br

HCID67495985

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1cc(C(=O)c2ccc3c(F)c(-c4ccccc4)n(CCCCN4C(=O)c5ccccc5C4=O)c3c2)sc1Br

HCID67495279

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a22c4dc9db642fbbbf69170a5c598a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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