Water → HCID 72310557, compound

HRID 1545596Notes

Reaction equation

HRID 1545596 reaction equation
[CH3:25][O:26][C:27]([c:28]1[cH:29][n:30][c:31]([Cl:38])[cH:32][c:33]1[C:34]([F:35])([F:36])[F:37])=[O:39].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:55][N:56]([CH3:57])[C:58](=[O:59])[CH3:60].[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19](=[O:23])[n:20]([CH3:22])[cH:21]2)[CH3:24])[cH:4][cH:5][c:6]([OH:8])[cH:7]1.[N:47]12[CH2:48][CH2:49][N:50]([CH2:51][CH2:52]1)[CH2:53][CH2:54]2.[OH2:67]>>[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19](=[O:23])[n:20]([CH3:22])[cH:21]2)[CH3:24])[cH:4][cH:5][c:6]([O:8][c:31]2[n:30][cH:29][c:28]([C:27]([O:26][CH3:25])=[O:39])[c:33]([C:34]([F:35])([F:36])[F:37])[cH:32]2)[cH:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 9237DabcoHCID 31374DimethylacetamideHCID 2775340Methyl 6-chloro-4-(trifluoromethyl)nicotinateHCID 574213145-[2-(2-Chloro-4-hydroxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-1-methyl-1H-pyridin-2-one

Product 1

HCID 72310557HCID 72310557, compound

Sources & evidence

ORD record
ord-423b156ef8464c629b81a73b1fe70dea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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