HRID1536446

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID56953627

未命名化合物

结构：CC(C)(c1cc(NC(=O)Oc2ccc(Cl)cc2)on1)C(F)(F)F

HCID56954312

4-Chlorophenyl N-[3-(2,2,2-trifluoro-1,1-dimethylethyl)-5-isoxazolyl]carbamate

C14H12ClF3N2O3

PRODUCTS

生成物

结构：COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)no4)c3)c2cc1OC

HCID44243045

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a21edd660b73411f8b215e9c7512b981
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([S:15][c:16]3[cH:17][c:18]([NH2:19])[cH:20][cH:21][cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:46][CH2:47][O:48][CH2:49][CH3:50].[CH3:56][N:57]([CH3:58])[c:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1.[F:23][C:24]([C:25]([CH3:26])([CH3:27])[c:28]1[n:29][o:30][c:31]([NH:33][C:34]([O:35][c:37]2[cH:38][cH:39][c:40]([Cl:41])[cH:42][cH:43]2)=[O:36])[cH:32]1)([F:44])[F:45]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([S:15][c:16]3[cH:17][c:18]([NH:19][C:34]([NH:33][c:31]4[o:30][n:29][c:28]([C:25]([C:24]([F:23])([F:44])[F:45])([CH3:26])[CH3:27])[cH:32]4)=[O:35])[cH:20][cH:21][cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]