Bicarbonate Ion → Sodium ion

HRID 2325379Notes

Reaction equation

HRID 2325379 reaction equation
[Na+:45].[Na+:5].[Na+:6].[O-:41][C:42]([OH:43])=[O:44].[O:7]1[CH2:8][CH2:9][CH:10]([c:13]2[cH:14][c:15]3[c:19]([cH:20][cH:21]2)[CH2:18][N:17]([C:22](=[O:23])[c:24]2[cH:25][c:26]([S:37](=[O:38])(=[O:39])[Cl:40])[cH:27][cH:28][c:29]2[O:30][CH:31]([C:32]([F:33])([F:34])[F:35])[CH3:36])[CH2:16]3)[CH2:11][CH2:12]1.[OH2:46].[S:1]([O-:2])([O-:3])=[O:4]>>[Na+:5].[O:7]1[CH2:8][CH2:9][CH:10]([c:13]2[cH:14][c:15]3[c:19]([cH:20][cH:21]2)[CH2:18][N:17]([C:22](=[O:23])[c:24]2[cH:25][c:26]([S:37](=[O:38])[O-:39])[cH:27][cH:28][c:29]2[O:30][CH:31]([C:32]([F:33])([F:34])[F:35])[CH3:36])[CH2:16]3)[CH2:11][CH2:12]1

Participants

7

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 962WaterHCID 1099SulfiteHCID 76427894HCID 76427894, compound

Product 2

HCID 923Sodium ionHCID 722526513-[5-(Oxan-4-yl)-1,3-dihydroisoindole-2-carbonyl]-4-(1,1,1-trifluoropropan-2-yloxy)benzenesulfinate

Sources & evidence

ORD record
ord-2f6630451d7c4d02a91bb42abfe23d7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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