Bicarbonate Ion → HCID 23448823, compound

HRID 300905Notes

Reaction equation

HRID 300905 reaction equation
[C:40](=[O:41])([OH:42])[O-:43].[CH3:1][C:2]1([CH3:31])[O:3][CH:4]2[CH:5]([O:6]1)[CH:7]([c:25]1[n:26][c:27]([CH3:30])[n:28][o:29]1)[O:8][CH:9]2[n:10]1[c:11]2[n:12][cH:13][n:14][c:15]([NH:19][CH:20]3[CH2:21][CH2:22][CH2:23][CH2:24]3)[c:16]2[n:17][cH:18]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Na+:44].[OH2:39].[OH:32][C:33]([C:34]([F:35])([F:36])[F:37])=[O:38]>>[OH:3][CH:4]1[CH:5]([OH:6])[CH:7]([c:25]2[n:26][c:27]([CH3:30])[n:28][o:29]2)[O:8][CH:9]1[n:10]1[c:11]2[n:12][cH:13][n:14][c:15]([NH:19][CH:20]3[CH2:21][CH2:22][CH2:23][CH2:24]3)[c:16]2[n:17][cH:18]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 178434740HCID 178434740, compound

Product 1

HCID 23448823HCID 23448823, compound

Sources & evidence

ORD record
ord-6cd87b1a2a5a4c10bd3bfb94efa993df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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