1-(2,2,2-Trifluoroethyl)piperazine → 4-(9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-((4-(2,2,2-trifluoroethyl)piperazin-1-yl)methyl)-9H-purin-6-yl)morpholine

HRID 676049Notes

Reaction equation

HRID 676049 reaction equation
[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

Participants

3

Reactant 2

HCID 95339211-(2,2,2-Trifluoroethyl)piperazineHCID 596058124-(8-(bromomethyl)-9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-9H-purin-6-yl)morpholine

Product 1

HCID 596061264-(9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-((4-(2,2,2-trifluoroethyl)piperazin-1-yl)methyl)-9H-purin-6-yl)morpholine

Sources & evidence

ORD record
ord-e2efc8faf28047b0bf95eb80a1f0db40
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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