Bicarbonate Ion → HCID 91511845, compound

HRID 188812Notes

Reaction equation

HRID 188812 reaction equation
[C:44](=[O:45])([OH:46])[O-:47].[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[F:49][C:50]([F:51])([F:52])[C:53]([OH:54])=[O:55].[F:6][c:7]1[cH:8][cH:9][c:10]([C:13]2([OH:38])[c:14]3[n:15]([n:19][c:20]([CH:22]=[CH:23][c:24]4[cH:25][c:26]([O:36][CH3:37])[c:27](-[n:30]5[cH:31][n:32][c:33]([CH3:35])[cH:34]5)[cH:28][cH:29]4)[n:21]3)[CH2:16][CH2:17][CH2:18]2)[cH:11][cH:12]1.[N-:40]=[N+:41]=[N-:42].[Na+:39].[Na+:48].[OH2:43]>>[F:6][c:7]1[cH:8][cH:9][c:10]([C:13]2([N:40]=[N+:41]=[N-:42])[c:14]3[n:15]([n:19][c:20]([CH:22]=[CH:23][c:24]4[cH:25][c:26]([O:36][CH3:37])[c:27](-[n:30]5[cH:31][n:32][c:33]([CH3:35])[cH:34]5)[cH:28][cH:29]4)[n:21]3)[CH2:16][CH2:17][CH2:18]2)[cH:11][cH:12]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 6395Methanesulfonic AcidHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 33558AzideHCID 67067264HCID 67067264, compound

Product 1

HCID 91511845HCID 91511845, compound

Sources & evidence

ORD record
ord-5684379970b248b0a6bce159afe938d1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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