HRID105872

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID24386

Thionyl chloride

Cl2OS

HCID81531

Diisopropylethylamine

C8H19N

HCID621640

未命名化合物

HCID12002825

3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline

C11H10F3N3

PRODUCTS

生成物

结构：Cc1cn(-c2cc(NC(=O)c3ccc(C)c(I)c3)cc(C(F)(F)F)c2)cn1

HCID17752158

3-Iodo-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide

C19H15F3IN3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cc8ba5730864971a6a76afd201a7824
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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