Methanol → 2-{4-[2-(4-fluorophenyl)-8-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl}ethanol

HRID 93744Notes

Reaction equation

HRID 93744 reaction equation
[CH3:50][OH:51].[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:17]4[CH2:18][CH2:19][N:20]([CH2:23][CH2:24][OH:25])[CH2:21][CH2:22]4)[cH:14][c:15]3[CH3:16])[c:26]2-[c:27]2[c:28]3[c:29]([n:30][cH:31][cH:32]2)[n:33]([S:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)(=[O:43])=[O:44])[cH:34][cH:35]3)[cH:6][cH:7]1.[Na+:53].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH-:52].[OH2:54]>>[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:17]4[CH2:18][CH2:19][N:20]([CH2:23][CH2:24][OH:25])[CH2:21][CH2:22]4)[cH:14][c:15]3[CH3:16])[c:26]2-[c:27]2[c:28]3[c:29]([n:30][cH:31][cH:32]2)[nH:33][cH:34][cH:35]3)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 58046369HCID 58046369, compound

Product 1

HCID 462130842-{4-[2-(4-fluorophenyl)-8-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl}ethanol

Sources & evidence

ORD record
ord-3978e24cb57b411e85394056f353d21a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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