HRID106926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID887

Methanol

CH4O

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID29936

Fe+3 ion

Fe+3

HCID59497765

未命名化合物

HCID178468203

未命名化合物

HCID178477777

未命名化合物

PRODUCTS

产物

HCID25229615

2-[3-(2,2-Difluoro-benzo[1,3]dioxol-5-ylamino)-5-(2,6-dimethyl-pyridin-4-yl)-[1,2,4]-triazol-1-yl]-N-ethyl-acetamide

C20H20F2N6O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c87b1fd11bb14e1eaaf1e24cea0f7ab1
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

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