Bicarbonate Ion → HCID 10231143, compound

HRID 141504Notes

Reaction equation

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

Participants

Reactant 6

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 962Water

HCID 6228Dimethylformamide

HCID 6340Iodoethane

HCID 101191162-[(2,6-Dichlorobenzoyl)amino]-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridin-3-yl]phenyl]propanoic acid

Product 1

HCID 10231143HCID 10231143, compound

Sources & evidence

ORD record: ord-7e9b38030ffd4118877d618784c8692f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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