Bicarbonate Ion → HCID 66990525, compound

HRID 284926Notes

Reaction equation

HRID 284926 reaction equation
[Br:7][CH2:8][CH2:9][CH2:10][OH:11].[C:1](=[O:2])([O-:3])[O-:4].[C:54](=[O:55])([OH:56])[O-:57].[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][c:20]1[c:21]([C:22](=[O:23])[NH:24][c:25]2[c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32][c:33](-[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:34]2)[cH:41][c:42]([O:45][CH2:46][CH2:47][N:48]2[CH2:49][CH2:50][NH:51][CH2:52][CH2:53]2)[cH:43][cH:44]1.[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[CH3:65][C:66](=[O:67])[CH2:68][CH3:69].[K+:5].[K+:6].[Na+:58]>>[CH2:8]([CH2:9][CH2:10][OH:11])[N:51]1[CH2:50][CH2:49][N:48]([CH2:47][CH2:46][O:45][c:42]2[cH:41][c:21]([C:22](=[O:23])[NH:24][c:25]3[c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32][c:33](-[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[cH:34]3)[c:20]([O:19][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[cH:44][cH:43]2)[CH2:53][CH2:52]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 923Sodium ionHCID 6569Methyl Ethyl KetoneHCID 8857Ethyl AcetateHCID 123083-Bromo-1-propanolHCID 19660Carbonate IonHCID 66990307HCID 66990307, compound

Product 1

HCID 66990525HCID 66990525, compound

Sources & evidence

ORD record
ord-5b420ef2912840ba9dc06ffec05218e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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