Bicarbonate Ion → HCID 22636410, compound

HRID 678320Notes

Reaction equation

HRID 678320 reaction equation
[C:45]([OH:46])([CH3:47])([CH3:48])[CH3:49].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:18]3[n:19][c:20]([NH:24][CH:25]([CH3:26])[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[n:21][cH:22][cH:23]3)[n:10]3[n:11]([c:16]2=[O:17])[CH2:12][CH:13]=[CH:14][CH2:15]3)[cH:6][cH:7]1.[K+:34].[K+:35].[Na+:44].[O-:36][C:37]([O-:38])=[O:39].[O-:40][C:41]([OH:42])=[O:43].[OH2:33]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:18]3[n:19][c:20]([NH:24][CH:25]([CH3:26])[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[n:21][cH:22][cH:23]3)[n:10]3[n:11]([c:16]2=[O:17])[CH2:12][CH:13]([OH:36])[CH:14]([OH:33])[CH2:15]3)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 6386tert-ButanolHCID 19660Carbonate IonHCID 10296114HCID 10296114, compound

Product 1

HCID 22636410HCID 22636410, compound

Sources & evidence

ORD record
ord-bf0d7ed2be32402aa5f104e3f2a80514
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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