Hydrochloric Acid → 2-[4-(2,4-difluoro-phenyl)-4H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-1-thia-benzo[e]azulene-9-carboxylic acid

HRID 1547080Notes

Reaction equation

HRID 1547080 reaction equation
[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([cH:31]1)-[c:10]1[s:11][c:12](-[c:18]3[n:19][n:20][cH:21][n:22]3-[c:23]3[c:24]([F:30])[cH:25][c:26]([F:29])[cH:27][cH:28]3)[cH:13][c:14]1[CH2:15][CH2:16][O:17]2.[CH3:40][CH2:41][OH:42].[ClH:34].[Na+:33].[OH-:32]>>[O:2]=[C:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([cH:31]1)-[c:10]1[s:11][c:12](-[c:18]3[n:19][n:20][cH:21][n:22]3-[c:23]3[c:24]([F:30])[cH:25][c:26]([F:29])[cH:27][cH:28]3)[cH:13][c:14]1[CH2:15][CH2:16][O:17]2

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 66886046HCID 66886046, compound

Product 1

HCID 668861572-[4-(2,4-difluoro-phenyl)-4H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-1-thia-benzo[e]azulene-9-carboxylic acid

Sources & evidence

ORD record
ord-489bbd2ca47b49b08bc71c7f45ae09a5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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