Sodium ion → 6-((6-bromo-1H-benzo[d][1,2,3]triazol-1-yl)methyl)imidazo[1,2-b]pyridazine-2-carbonyl azide

HRID 148881Notes

Reaction equation

HRID 148881 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7]([CH2:10][c:11]3[cH:12][cH:13][c:14]4[n:15]([n:16]3)[cH:17][c:18]([C:20](=[O:21])[OH:22])[n:19]4)[n:8][n:9]2)[cH:23]1.[CH2:24]([N:25]([CH:26]([CH3:27])[CH3:28])[CH:29]([CH3:30])[CH3:31])[CH3:32].[CH3:75][CH2:76][O:77][C:78]([CH3:79])=[O:80].[N-:34]=[N+:35]=[N-:36].[Na+:33].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:81].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][P+:46]([N:47]2[CH2:48][CH2:49][CH2:50][CH2:51]2)([N:52]2[CH2:53][CH2:54][CH2:55][CH2:56]2)[N:57]2[CH2:58][CH2:59][CH2:60][CH2:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7]([CH2:10][c:11]3[cH:12][cH:13][c:14]4[n:15]([n:16]3)[cH:17][c:18]([C:20](=[O:21])[N:34]=[N+:35]=[N-:36])[n:19]4)[n:8][n:9]2)[cH:23]1

Participants

10

Reactant 9

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 33558AzideHCID 81531DiisopropylethylamineHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 592332496-((6-bromo-1H-benzo[d][1,2,3]triazol-1-yl)methyl)imidazo[1,2-b]pyridazine-2-carboxylic acid

Product 1

HCID 592330636-((6-bromo-1H-benzo[d][1,2,3]triazol-1-yl)methyl)imidazo[1,2-b]pyridazine-2-carbonyl azide

Sources & evidence

ORD record
ord-77053dec950649c0bba7a7ba821809a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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