HRID292529

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID17752157

3-Iodo-4-methylbenzoyl chloride

C8H6ClIO

HCID46838610

1-[3-Amino-5-(trifluoromethyl)phenyl]-N,N-dimethyl-1H-imidazole-2-methanamine

C13H15F3N4

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2cc(-n3ccnc3CN(C)C)cc(C(F)(F)F)c2)cc1I

HCID46838614

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e44748efc4234937bbeb032b89b30ae5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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