Ammonia → HCID 67228295, compound

HRID 94768Notes

Reaction equation

HRID 94768 reaction equation
[CH3:40][CH2:41][OH:42].[NH3:39].[Na+:38].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:37].[c:1]1([S:2](=[O:3])(=[O:4])[n:10]2[c:11]([C:20](=[CH:21][CH:22]3[CH2:23][CH2:24][CH2:25][CH2:26]3)[c:27]3[cH:28][cH:29][c:30]([C:33]([CH3:34])([CH3:35])[OH:36])[cH:31][cH:32]3)[cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([F:19])[cH:18]3)[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[nH:10]1[c:11]([C:20](=[CH:21][CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26]2)[c:27]2[cH:28][cH:29][c:30]([C:33]([CH3:34])([CH3:35])[OH:36])[cH:31][cH:32]2)[cH:12][c:13]2[c:14]1[n:15][cH:16][c:17]([F:19])[cH:18]2

Participants

7

Reactant 6

HCID 222AmmoniaHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 672292072-{4-[1-(1-benzenesulfonyl-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-cyclopentyl-vinyl]-phenyl}-propan-2-ol

Product 1

HCID 67228295HCID 67228295, compound

Sources & evidence

ORD record
ord-852469d58e614aabbc0bf07349d6fffc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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