Hydrogen Bromide → 4-[8-[(2,6-Dimethyl-4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)-9-methylpurin-6-yl]morpholine

HRID 1126001Notes

Reaction equation

HRID 1126001 reaction equation
[Br:2][CH2:3][c:4]1[n:5]([CH3:30])[c:6]2[n:7][c:8](-[n:19]3[c:20]([CH2:28][CH3:29])[n:21][c:22]4[c:23]3[cH:24][cH:25][cH:26][cH:27]4)[n:9][c:10]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[c:11]2[n:12]1.[BrH:1].[CH3:31][S:32](=[O:33])(=[O:34])[N:35]1[CH2:36][CH:37]([CH3:42])[NH:38][CH:39]([CH3:41])[CH2:40]1.[K+:43].[K+:44].[O-:45][C:46]([O-:47])=[O:48].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[CH2:3]([c:4]1[n:5]([CH3:30])[c:6]2[n:7][c:8](-[n:19]3[c:20]([CH2:28][CH3:29])[n:21][c:22]4[c:23]3[cH:24][cH:25][cH:26][cH:27]4)[n:9][c:10]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[c:11]2[n:12]1)[N:38]1[CH:37]([CH3:42])[CH2:36][N:35]([S:32]([CH3:31])(=[O:33])=[O:34])[CH2:40][CH:39]1[CH3:41]

Participants

7

Reactant 6

HCID 260Hydrogen BromideHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 638725321-Methanesulfonyl-3,5-dimethylpiperazineHCID 674922148-bromomethyl-2-(2-ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine

Product 1

HCID 723368714-[8-[(2,6-Dimethyl-4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)-9-methylpurin-6-yl]morpholine

Sources & evidence

ORD record
ord-14dd714fc58c4e9f8de203d49b5e6c10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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