Bicarbonate Ion → 2-(4-Fluorophenyl)-3-iodo-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine

HRID 1132944Notes

Reaction equation

HRID 1132944 reaction equation
[C:33](=[O:34])([OH:35])[O-:36].[CH3:42][OH:43].[CH:38]([Cl:39])([Cl:40])[Cl:41].[CH:44]([O:45][CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[CH:51]([OH:52])([CH3:53])[CH3:54].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[n:11]([n:12][c:13]([N:16]4[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]4)[cH:14][cH:15]3)[cH:23]2)[cH:6][cH:7]1.[I:24][Cl:25].[Na+:31].[Na+:32].[Na+:37].[S:26]([O-:27])([O-:28])(=[O:29])=[S:30]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[n:11]([n:12][c:13]([N:16]4[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]4)[cH:14][cH:15]3)[c:23]2[I:24])[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 3776IsopropanolHCID 6212ChloroformHCID 7914Diisopropyl EtherHCID 24640Iodine chlorideHCID 594069602-(4-Fluorophenyl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine

Product 1

HCID 594069722-(4-Fluorophenyl)-3-iodo-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine

Sources & evidence

ORD record
ord-17b504ff98cf4f3da9545067ca7a03dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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