Bicarbonate Ion → 4-(5-(2,6-Diamino-pyridine-3-yl)-isoxazol-3-ylmethyl)phenol

HRID 2148524Notes

Reaction equation

HRID 2148524 reaction equation
[C:37](=[O:38])([O-:39])[OH:40].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][c:14]2[n:15][o:16][c:17](-[c:19]3[c:20]([NH2:26])[n:21][c:22]([NH2:25])[cH:23][cH:24]3)[cH:18]2)[cH:27][cH:28]1.[Na+:41].[OH:42][C:43]([C:44]([F:45])([F:46])[F:47])=[O:48].[c:29]1([S:30][CH3:31])[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[OH:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][c:14]2[n:15][o:16][c:17](-[c:19]3[c:20]([NH2:26])[n:21][c:22]([NH2:25])[cH:23][cH:24]3)[cH:18]2)[cH:27][cH:28]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 7520ThioanisoleHCID 251146023-(3-(4-Benzyloxy-benzyl)-isoxazol-5-yl)-pyridin-2,6-diamine

Product 1

HCID 592553274-(5-(2,6-Diamino-pyridine-3-yl)-isoxazol-3-ylmethyl)phenol

Sources & evidence

ORD record
ord-2c5a2460911141a8be160adb55079bed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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