Bicarbonate Ion → HCID 59446514, compound

HRID 2138377Notes

Reaction equation

HRID 2138377 reaction equation
[C:38](=[O:39])([O-:40])[OH:41].[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[CH3:43][C:44]([O:45][C:46](=[O:47])[CH3:48])=[O:49].[Cl:1][c:2]1[cH:3][c:4]([S:9](=[O:10])(=[O:11])[N:12]([c:13]2[cH:14][c:15]3[cH:16][cH:17][nH:18][c:19]3[cH:20][cH:21]2)[CH2:22][P:23]([O:24][CH2:25][CH3:26])([O:27][CH2:28][CH3:29])=[O:30])[cH:5][c:6]([Cl:8])[cH:7]1.[Na+:42].[OH2:37]>>[Cl:1][c:2]1[cH:3][c:4]([S:9](=[O:10])(=[O:11])[N:12]([c:13]2[cH:14][c:15]3[cH:16][cH:17][n:18]([C:32]([CH3:31])=[O:33])[c:19]3[cH:20][cH:21]2)[CH2:22][P:23]([O:24][CH2:25][CH3:26])([O:27][CH2:28][CH3:29])=[O:30])[cH:5][c:6]([Cl:8])[cH:7]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 7918Acetic AnhydrideHCID 8857Ethyl AcetateHCID 59446492HCID 59446492, compound

Product 1

HCID 59446514HCID 59446514, compound

Sources & evidence

ORD record
ord-749e226b21634401bfaa2fef3dff7feb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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