Ethanol → HCID 69545801, compound

HRID 1221729Notes

Reaction equation

HRID 1221729 reaction equation
[CH2:43]([OH:44])[CH3:45].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][C:7]1=[C:8]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH2:9][N:10]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11][CH2:12]1)(=[O:25])=[O:26].[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[OH:27][B:28]([OH:29])[c:30]1[cH:31][cH:32][c:33]([F:34])[cH:35][cH:36]1.[c:46]1([CH3:47])[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[C:7]1([c:30]2[cH:31][cH:32][c:33]([F:34])[cH:35][cH:36]2)=[C:8]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH2:9][N:10]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11][CH2:12]1

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ion2×HCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 2856454-Fluorophenylboronic acidHCID 222284091-(tert-Butyl) 3-ethyl 4-(((trifluoromethyl)sulfonyl)oxy)-5,6-dihydropyridine-1,3(2H)-dicarboxylate

Product 1

HCID 69545801HCID 69545801, compound

Sources & evidence

ORD record
ord-68f6beeda80b4426bbc8ba4ab9e04435
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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