Water → HCID 22240462, compound

HRID 676501Notes

Reaction equation

HRID 676501 reaction equation
[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[F:34][C:35]([F:36])([F:37])[C:38]([O:39][C:40](=[O:41])[C:42]([F:43])([F:44])[F:45])=[O:46].[O:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[OH2:53].[cH:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1.[o:1]1[c:2](-[c:6]2[cH:7][c:8]([C:19](=[O:20])[NH2:21])[n:9][n:10]2-[c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[cH:3][cH:4][cH:5]1>>[o:1]1[c:2](-[c:6]2[cH:7][c:8]([C:19]#[N:21])[n:9][n:10]2-[c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[cH:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 962WaterHCID 1049PyridineHCID 8857Ethyl AcetateHCID 9845Trifluoroacetic anhydrideHCID 312751,4-DioxaneHCID 22240457HCID 22240457, compound

Product 1

HCID 22240462HCID 22240462, compound

Sources & evidence

ORD record
ord-15772b4965d84b1282bc955b8e687459
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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