Chloride → HCID 19037051, compound

HRID 684160Notes

Reaction equation

HRID 684160 reaction equation
[CH2:33]([OH:34])[CH3:35].[Cl-:31].[ClH:1].[ClH:32].[N:27]([O-:28])=[O:29].[NH2:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:21]1)[C:8]([C:16](=[O:17])[O:18][CH2:19][CH3:20])=[CH:9][C:10]([CH2:12][F:13])([CH2:14][F:15])[O:11]2.[Na+:30].[OH2:36].[S:22](=[O:23])(=[O:24])([OH:25])[OH:26]>>[Cl:1][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:21]1)[C:8]([C:16](=[O:17])[O:18][CH2:19][CH3:20])=[CH:9][C:10]([CH2:12][F:13])([CH2:14][F:15])[O:11]2

Participants

9

Reactant 8

HCID 312ChlorideHCID 313Hydrochloric Acid2×HCID 702EthanolHCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 1118Sulfuric AcidHCID 19037020ethyl 6-amino-2,2-bisfluoromethyl-2H-1-benzopyran-4-carboxylate

Product 1

HCID 19037051HCID 19037051, compound

Sources & evidence

ORD record
ord-1d3b7dc9d0fc48f39156898ad27832be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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