Ethanol → 6-[[2,2-Bis(fluoromethyl)-3-hydroxy-6-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydrochromen-4-yl]oxy]-2-methylpyridazin-3-one

HRID 114989Notes

Reaction equation

HRID 114989 reaction equation
[CH3:38][CH2:39][OH:40].[O:1]1[CH:2]2[C:3]([CH2:19][F:20])([CH2:21][F:22])[O:4][c:5]3[c:6]([cH:8][c:9]([C:12]([C:13]([F:14])([F:15])[F:16])([F:17])[F:18])[cH:10][cH:11]3)[CH:7]12.[OH:23][c:24]1[n:25][n:26]([CH3:31])[c:27](=[O:30])[cH:28][cH:29]1.[cH:32]1[cH:33][cH:34][n:35][cH:36][cH:37]1>>[OH:1][CH:2]1[C:3]([CH2:19][F:20])([CH2:21][F:22])[O:4][c:5]2[c:6]([cH:8][c:9]([C:12]([C:13]([F:14])([F:15])[F:16])([F:17])[F:18])[cH:10][cH:11]2)[CH:7]1[O:23][c:24]1[n:25][n:26]([CH3:31])[c:27](=[O:30])[cH:28][cH:29]1

Participants

5

Reactant 4

HCID 702EthanolHCID 1049PyridineHCID 158717923,4-epoxy-6-pentafluoroethyl-2,2-bisfluoromethyl-3,4-dihydro-2H-1-benzopyranHCID 178481946HCID 178481946, compound

Product 1

HCID 218313196-[[2,2-Bis(fluoromethyl)-3-hydroxy-6-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydrochromen-4-yl]oxy]-2-methylpyridazin-3-one

Sources & evidence

ORD record
ord-4196223d7d774c0cafab40d6157fd12e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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