Potassium Cation → t-Butyl 4-[6-benzyloxymethyl-1-(2-butynyl)-7-oxo-6,7-dihydro-1H-imidazo[4,5-d]pyridazin-2-yl]piperazine-1-carboxylate

HRID 98205Notes

Reaction equation

HRID 98205 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[O:24][CH2:25][n:26]1[n:27][cH:28][c:29]2[c:30]([c:31]1=[O:32])[nH:33][c:34]([N:36]1[CH2:37][CH2:38][N:39]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:40][CH2:41]1)[n:35]2.[CH2:7]([C:8]#[C:9][CH3:10])[Br:11].[CH3:12][N:13]([CH3:14])[CH:15]=[O:16].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[K+:5].[K+:6]>>[CH2:7]([C:8]#[C:9][CH3:10])[n:33]1[c:30]2[c:29]([cH:28][n:27][n:26]([CH2:25][O:24][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:31]2=[O:32])[n:35][c:34]1[N:36]1[CH2:37][CH2:38][N:39]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:40][CH2:41]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 27568621-Bromo-2-butyneHCID 178452258HCID 178452258, compound

Product 1

HCID 57472622t-Butyl 4-[6-benzyloxymethyl-1-(2-butynyl)-7-oxo-6,7-dihydro-1H-imidazo[4,5-d]pyridazin-2-yl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-2b5d2d3d09464fe2917efc07e17747cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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