Hydrochloric Acid → methyl 5-(4-{3-[(3-methyl-2-furoyl)amino]phenoxy}pyridin-2-yl)-1H-pyrrole-3-carboxylate

HRID 689328Notes

Reaction equation

HRID 689328 reaction equation
[CH3:1][c:2]1[c:3]([C:7](=[O:8])[OH:9])[o:4][cH:5][cH:6]1.[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[ClH:66].[NH2:43][c:44]1[cH:45][c:46]([O:47][c:48]2[cH:49][c:50](-[c:54]3[cH:55][c:56]([C:59](=[O:60])[O:61][CH3:62])[cH:57][nH:58]3)[n:51][cH:52][cH:53]2)[cH:63][cH:64][cH:65]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:72].[P-:10]([F:11])([F:12])([F:13])([F:14])([F:15])[F:16].[n:17]1([O:18][C:19]([N:20]([CH3:21])[CH3:22])=[N+:23]([CH3:24])[CH3:25])[c:26]2[n:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1>>[CH3:1][c:2]1[c:3]([C:7](=[O:9])[NH:43][c:44]2[cH:45][c:46]([O:47][c:48]3[cH:49][c:50](-[c:54]4[cH:55][c:56]([C:59](=[O:60])[O:61][CH3:62])[cH:57][nH:58]4)[n:51][cH:52][cH:53]3)[cH:63][cH:64][cH:65]2)[o:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 781273-Methyl-2-furoic acidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58167884methyl 5-[4-(3-aminophenoxy)pyridin-2-yl]-1H-pyrrole-3-carboxylate

Product 1

HCID 51001459methyl 5-(4-{3-[(3-methyl-2-furoyl)amino]phenoxy}pyridin-2-yl)-1H-pyrrole-3-carboxylate

Sources & evidence

ORD record
ord-fc8f98a781e64d87a2af67bd1a7d8ade
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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