Bicarbonate Ion → HCID 178500343, compound

HRID 1567292Notes

Reaction equation

HRID 1567292 reaction equation
[C:33]12([CH2:34][S:35]([OH:36])(=[O:37])=[O:38])[C:39]([CH3:40])([CH3:41])[CH:42]([CH2:43][CH2:44]1)[CH2:45][C:46]2=[O:47].[CH3:23][O:24][C:25]([CH:26]([OH:27])[CH2:28][CH:29]([CH3:30])[CH3:31])=[O:32].[Cl:1][C:2]([Cl:3])([Cl:4])[C:20](=[NH:21])[O:22][CH:5]([c:6]1[cH:7][cH:8][c:9]([F:12])[cH:10][cH:11]1)[c:13]1[cH:14][cH:15][c:16]([Br:19])[cH:17][cH:18]1.[Cl:53][CH2:54][Cl:55].[Na+:52].[O-:48][C:49]([OH:50])=[O:51]>>[CH:5]([c:6]1[cH:7][cH:8][c:9]([F:12])[cH:10][cH:11]1)([c:13]1[cH:14][cH:15][c:16]([Br:19])[cH:17][cH:18]1)[O:27][CH:26]([C:25]([O:24][CH3:23])=[O:32])[CH2:28][CH:29]([CH3:30])[CH3:31]

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 62908Methyl 2-hydroxy-4-methylpentanoateHCID 69472473(4-Bromophenyl)(4-fluorophenyl)methyl 2,2,2-trichloroethanimidoate

Product 1

HCID 178500343HCID 178500343, compound

Sources & evidence

ORD record
ord-baa31738d125475e9176a6d47976f762
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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