Potassium Cation → 1-O-tert-butyl 2-O-methyl 4-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-2,5-dihydropyrrole-1,2-dicarboxylate

HRID 688837Notes

Reaction equation

HRID 688837 reaction equation
[F:43][C:44]([F:45])([F:46])[S:47]([O:48][C:49]1=[CH:50][CH:51]([C:61](=[O:62])[O:63][CH3:64])[N:52]([C:54](=[O:55])[O:56][C:57]([CH3:58])([CH3:59])[CH3:60])[CH2:53]1)(=[O:65])=[O:66].[F:9][c:10]1[c:11](-[c:25]2[s:26][c:27]3[n:28][c:29]([C:34]4([c:37]5[cH:38][cH:39][cH:40][cH:41][cH:42]5)[CH2:35][CH2:36]4)[cH:30][cH:31][c:32]3[n:33]2)[cH:12][cH:13][c:14]([B:16]2[O:17][C:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24]2)[cH:15]1.[K+:6].[K+:7].[K+:8].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[P:1]([O-:2])([O-:3])([O-:4])=[O:5]>>[F:9][c:10]1[c:11](-[c:25]2[s:26][c:27]3[n:28][c:29]([C:34]4([c:37]5[cH:38][cH:39][cH:40][cH:41][cH:42]5)[CH2:35][CH2:36]4)[cH:30][cH:31][c:32]3[n:33]2)[cH:12][cH:13][c:14]([C:49]2=[CH:50][CH:51]([C:61](=[O:62])[O:63][CH3:64])[N:52]([C:54](=[O:55])[O:56][C:57]([CH3:58])([CH3:59])[CH3:60])[CH2:53]2)[cH:15]1

Participants

6

Reactant 5

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 6228DimethylformamideHCID 57362620(S)-1-tert-Butyl 2-methyl 4-(((trifluoromethyl)-sulfonyl)oxy)-1H-pyrrole-1,2(2H,5H)-dicarboxylateHCID 671119352-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridine

Product 1

HCID 671129691-O-tert-butyl 2-O-methyl 4-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-2,5-dihydropyrrole-1,2-dicarboxylate

Sources & evidence

ORD record
ord-5da059953d28473a80257867ed3e1f9d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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