Bicarbonate Ion → 4-[[3-(2-Amino-5-chloro-3-pyridinyl)-5-isoxazolyl]methyl]phenol

HRID 143015Notes

Reaction equation

HRID 143015 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[cH:22][c:23](-[c:26]3[c:27]([NH2:33])[n:28][cH:29][c:30]([Cl:32])[cH:31]3)[n:24][o:25]2)[cH:34][cH:35]1.[Na+:44].[OH2:49].[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[cH:22][c:23](-[c:26]3[c:27]([NH2:33])[n:28][cH:29][c:30]([Cl:32])[cH:31]3)[n:24][o:25]2)[cH:34][cH:35]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6422Trifluoroacetic acidHCID 7520ThioanisoleHCID 59255519HCID 59255519, compound

Product 1

HCID 592555114-[[3-(2-Amino-5-chloro-3-pyridinyl)-5-isoxazolyl]methyl]phenol

Sources & evidence

ORD record
ord-6da2266cc4714897882df6141c11fa5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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