Water → 8-(3-Aminopyrrolidin-1-yl)-7-[(2-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione

HRID 673119Notes

Reaction equation

HRID 673119 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH:8]1[CH2:9][N:10]([c:13]2[n:14][c:15]3[n:16]([CH3:33])[c:17](=[O:32])[n:18]([CH3:31])[c:19](=[O:30])[c:20]3[n:21]2[CH2:22][c:23]2[c:24]([Br:29])[cH:25][cH:26][cH:27][cH:28]2)[CH2:11][CH2:12]1)([CH3:5])([CH3:6])[CH3:34].[CH3:43][C:44]#[N:45].[F:36][C:37]([F:38])([F:39])[C:40]([OH:41])=[O:42].[OH2:35]>>[NH2:7][CH:8]1[CH2:9][N:10]([c:13]2[n:14][c:15]3[n:16]([CH3:33])[c:17](=[O:32])[n:18]([CH3:31])[c:19](=[O:30])[c:20]3[n:21]2[CH2:22][c:23]2[c:24]([Br:29])[cH:25][cH:26][cH:27][cH:28]2)[CH2:11][CH2:12]1

Participants

5

Reactant 4

HCID 962WaterHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 69137093(1-(7-(2-Bromobenzyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-8-yl)pyrrolidin-3-yl)carbamic acid tert-butyl ester

Product 1

HCID 225086198-(3-Aminopyrrolidin-1-yl)-7-[(2-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione

Sources & evidence

ORD record
ord-2e1961f5ae8b4c1cbd1152feb15b69ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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