HRID2127512

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID8028

Tetrahydrofuran

C4H8O

结构：Cc1cc2ncn(C3CCN(CC4Cc5ccc(F)cc5C4)CC3)c2cc1F

HCID58852273

未命名化合物

HCID178418306

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2nc(C(C)(C)O)n(C3CCN(CC4Cc5ccc(F)cc5C4)CC3)c2cc1F

HCID58852277

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d90e0e05fb54e41b850c4ad30e66c76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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