Ethanol → (1SR,3RS)-3-[3-(2-Chloro-6-fluoro-pyridin-4-yl)-imidazo[1,2-a]pyridin-6-ylamino)-cyclohexanol

HRID 285981Notes

Reaction equation

HRID 285981 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]2[n:6]1[cH:7][c:8]([NH:11][CH:12]1[CH2:13][CH:14]([OH:18])[CH2:15][CH2:16][CH2:17]1)[cH:9][cH:10]2.[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][CH2:43][OH:44].[Cl:19][c:20]1[n:21][c:22]([F:35])[cH:23][c:24]([B:26]2[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]2)[cH:25]1.[Na+:40].[Na+:41].[OH2:45]>>[c:2]1(-[c:24]2[cH:23][c:22]([F:35])[n:21][c:20]([Cl:19])[cH:25]2)[cH:3][n:4][c:5]2[n:6]1[cH:7][c:8]([NH:11][CH:12]1[CH2:13][CH:14]([OH:18])[CH2:15][CH2:16][CH2:17]1)[cH:9][cH:10]2

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 467392412-Chloro-6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)pyridineHCID 68483082(1RS,3RS)-3-(3-Bromo-imidazo[1,2-a]pyridin-6-ylamino)-cyclohexanol

Product 1

HCID 86644342(1SR,3RS)-3-[3-(2-Chloro-6-fluoro-pyridin-4-yl)-imidazo[1,2-a]pyridin-6-ylamino)-cyclohexanol

Sources & evidence

ORD record
ord-54a91d5e00ff4cba80197c97e0a9bb89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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