Bicarbonate Ion → 4-(5-(2-Amino-5-fluoro-pyridin-3-yl)-isoxazol-3-ylmethyl)-phenol

HRID 110793Notes

Reaction equation

HRID 110793 reaction equation
[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[O:15][c:16]1[cH:17][cH:18][c:19]([CH2:20][c:21]2[n:22][o:23][c:24](-[c:26]3[c:27]([NH2:33])[n:28][cH:29][c:30]([F:32])[cH:31]3)[cH:25]2)[cH:34][cH:35]1.[Na+:44].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7].[OH:45][C:46](=[O:47])[O-:48].[c:36]1([S:37][CH3:38])[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[OH:15][c:16]1[cH:17][cH:18][c:19]([CH2:20][c:21]2[n:22][o:23][c:24](-[c:26]3[c:27]([NH2:33])[n:28][cH:29][c:30]([F:32])[cH:31]3)[cH:25]2)[cH:34][cH:35]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 7520ThioanisoleHCID 592554543-(3-(4-Benzyloxy-benzyl)-isoxazol-5-yl)-5-fluoro-pyridin-2-ylamine

Product 1

HCID 592555204-(5-(2-Amino-5-fluoro-pyridin-3-yl)-isoxazol-3-ylmethyl)-phenol

Sources & evidence

ORD record
ord-9815cf0f4ba24312a4b526f7b547be57
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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