HRID182449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：COc1cccc2c1nc(C(F)F)n2-c1nc(Cl)nc(N2CCOCC2)n1

HCID53488102

1-[4-Chloro-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-2-(difluoromethyl)-4-methoxy-1H-benzimidazole

C16H15ClF2N6O2

PRODUCTS

生成物

结构：COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)n1

HCID66698039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ddcf79b509d64033ade4341b7592301f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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