Hydrogen Bromide → Tert-butyl 3,5-dimethyl-4-(pyridin-2-ylmethyl)piperazine-1-carboxylate

HRID 173103Notes

Reaction equation

HRID 173103 reaction equation
[Br:64][CH2:65][c:66]1[cH:67][cH:68][cH:69][cH:70][n:71]1.[BrH:63].[C:48]([CH3:49])([CH3:50])([CH3:51])[O:52][C:53](=[O:54])[N:55]1[CH2:56][CH:57]([CH3:58])[NH:59][CH:60]([CH3:61])[CH2:62]1.[C:72](=[O:73])([O-:74])[O-:75].[CH3:33][CH:34]1[N:35]([CH2:41][c:42]2[n:43][cH:44][cH:45][cH:46][cH:47]2)[CH:36]([CH3:40])[CH2:37][NH:38][CH2:39]1.[CH3:78][C:79]#[N:80].[Cl:1][c:2]1[n:3][c:4]([N:5]2[CH2:6][CH2:7][O:8][CH2:9][CH2:10]2)[c:11]2[s:12][c:13]([CH2:14][N:15]3[CH2:16][CH:17]([CH3:18])[N:19]([CH2:20][c:21]4[cH:22][cH:23][cH:24][cH:25][n:26]4)[CH:27]([CH3:28])[CH2:29]3)[cH:30][c:31]2[n:32]1.[Cl:81][CH2:82][Cl:83].[K+:76].[K+:77]>>[CH3:33][CH:34]1[N:35]([CH2:41][c:42]2[n:43][cH:44][cH:45][cH:46][cH:47]2)[CH:36]([CH3:40])[CH2:37][N:38]([C:53]([O:52][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:54])[CH2:39]1

Participants

10

Reactant 9

HCID 260Hydrogen BromideHCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 5642092-(Bromomethyl)pyridineHCID 22219990Tert-butyl 3,5-dimethylpiperazine-1-carboxylateHCID 242643722,6-Dimethyl-1-(pyridin-2-ylmethyl)piperazineHCID 765430884-[2-Chloro-6-[[3,5-dimethyl-4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

Product 1

HCID 76543089Tert-butyl 3,5-dimethyl-4-(pyridin-2-ylmethyl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-d2a0933faf3142fca6d080f928ba41b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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