Bicarbonate Ion → HCID 58456164, compound

HRID 86991Notes

Reaction equation

[CH3:1][c:2]1[cH:3][c:4](-[c:19]2[cH:20][n:21][c:22]([C:24]3([OH:32])[CH2:25][CH2:26][S:27](=[O:30])(=[O:31])[CH2:28][CH2:29]3)[s:23]2)[cH:5][c:6]([NH:8][c:9]2[n:10][cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[n:14]2)[cH:7]1.[Na+:37].[O-:33][C:34]([OH:35])=[O:36].[OH2:38]>>[CH3:1][c:2]1[cH:3][c:4](-[c:19]2[cH:20][n:21][c:22]([C:24]3=[CH:25][CH2:26][S:27](=[O:30])(=[O:31])[CH2:28][CH2:29]3)[s:23]2)[cH:5][c:6]([NH:8][c:9]2[n:10][cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[n:14]2)[cH:7]1

Participants

Reactant 4

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 962Water

HCID 672587064-[5-(3-methyl-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide

Product 1

HCID 58456164HCID 58456164, compound

Sources & evidence

ORD record: ord-1ed4846d7c194d6eb8e6d2d965f50f10
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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