HRID2342786

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID520769

2-(Trifluoromethyl)oxirane

C3H3F3O

结构：CC(C)(NC(=O)Cn1cc(-c2ccc(Cl)cc2)[nH]c1=O)c1cccc(C(F)(F)F)c1

HCID58012169

未命名化合物

PRODUCTS

生成物

结构：CC(C)(NC(=O)Cn1cc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1

HCID58012112

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-097a79fe68ef422ab8875e950ec4c299
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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