HRID676049

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9533921

1-(2,2,2-trifluoroethyl)piperazine

C6H11F3N2

结构：Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CBr)n(C)c2n1

HCID59605812

4-(8-(bromomethyl)-9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-9H-purin-6-yl)morpholine

C19H20BrN7O

PRODUCTS

生成物

结构：Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(CC(F)(F)F)CC3)n(C)c2n1

HCID59606126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2efc8faf28047b0bf95eb80a1f0db40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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