HRID672794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID30165

Iodide ion

I-

结构：OC(c1ccc(NCC(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F

HCID447911

未命名化合物

HCID10588461

4-Chloromethyl-5-methyl-2-(3-trifluoromethyl-phenyl)-oxazole

C12H9ClF3NO

PRODUCTS

生成物

结构：Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

HCID11592304

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc2766c6ad1e455aae259cacb7842cab
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

[CH3:50][CH2:51][O:52][CH2:53][CH3:54].[Cl-:43].[Cl:23][CH2:24][c:25]1[n:26][c:27](-[c:31]2[cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]2)[o:28][c:29]1[CH3:30].[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[cH:10][cH:11][c:12]([NH:15][CH2:16][C:17]([F:18])([F:19])[F:20])[cH:13][cH:14]1)([F:21])[F:22].[I-:41].[NH4+:44].[Na+:42].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[cH:10][cH:11][c:12]([N:15]([CH2:16][C:17]([F:18])([F:19])[F:20])[CH2:24][c:25]2[n:26][c:27](-[c:31]3[cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]3)[o:28][c:29]2[CH3:30])[cH:13][cH:14]1)([F:21])[F:22]