Sodium ion → 7-(2,2-Dimethyl-propyl)-6-[4-(2-methoxy-phenyl)-piperazin-1-ylmethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile

HRID 212282Notes

Reaction equation

HRID 212282 reaction equation
[Br:35][CH2:36][c:37]1[cH:38][c:39]2[c:40]([n:41][c:42]([C:45]#[N:46])[n:43][cH:44]2)[n:47]1[CH2:48][C:49]([CH3:50])([CH3:51])[CH3:52].[CH3:3][O:4][c:5]1[c:6]([N:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[cH:7][cH:8][cH:9][cH:10]1.[H-:2].[Na+:1].[O:17]1[CH2:18][CH2:19][O:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][O:26][CH2:27][CH2:28][O:29][CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[CH3:3][O:4][c:5]1[c:6]([N:11]2[CH2:12][CH2:13][N:14]([CH2:36][c:37]3[cH:38][c:39]4[c:40]([n:41][c:42]([C:45]#[N:46])[n:43][cH:44]4)[n:47]3[CH2:48][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:15][CH2:16]2)[cH:7][cH:8][cH:9][cH:10]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 13461-(2-Methoxyphenyl)piperazineHCID 6228DimethylformamideHCID 2855718-Crown-6HCID 166653HydrideHCID 113128256-Bromomethyl-7-(2,2-dimethyl-propyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Product 1

HCID 101803127-(2,2-Dimethyl-propyl)-6-[4-(2-methoxy-phenyl)-piperazin-1-ylmethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Sources & evidence

ORD record
ord-ecb83d4f01124d5298f163c28f8ee2e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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