HRID315668

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID2794581

1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride

C6H4ClF3N2O

HCID11217541

1,1,3-trimethyl-2,3-dihydro-1H-inden-4-amine;1,1,3-trimethylindan-4-amine

C12H17N

PRODUCTS

生成物

结构：CC1CC(C)(C)c2cccc(NC(=O)c3cn(C)nc3C(F)(F)F)c21

HCID14127892

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34146b81007c4b929e209df30e3427de
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

[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[CH3:1][C:2]1([CH3:13])[CH2:3][CH:4]([CH3:12])[c:5]2[c:6]([NH2:11])[cH:7][cH:8][cH:9][c:10]21.[CH3:21][n:22]1[n:23][c:24]([C:30]([F:31])([F:32])[F:33])[c:25]([C:27](=[O:28])[Cl:29])[cH:26]1.[CH3:35][N:36]([CH3:37])[c:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1.[OH2:34]>>[CH3:1][C:2]1([CH3:13])[CH2:3][CH:4]([CH3:12])[c:5]2[c:6]([NH:11][C:27]([c:25]3[c:24]([C:30]([F:31])([F:32])[F:33])[n:23][n:22]([CH3:21])[cH:26]3)=[O:28])[cH:7][cH:8][cH:9][c:10]21