Hydrochloric Acid → N-[3-[[2-[4-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-methylfuran-2-carboxamide

HRID 1132719Notes

Reaction equation

HRID 1132719 reaction equation
[CH3:1][c:2]1[c:3]([C:7](=[O:8])[NH:9][c:10]2[cH:11][c:12]([O:13][c:14]3[cH:15][c:16](-[c:20]4[cH:21][c:22]([C:25](=[O:26])[OH:27])[cH:23][nH:24]4)[n:17][cH:18][cH:19]3)[cH:28][cH:29][cH:30]2)[o:4][cH:5][cH:6]1.[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[ClH:70].[NH:64]1[CH2:65][CH:66]([OH:69])[CH2:67][CH2:68]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:76].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[CH3:1][c:2]1[c:3]([C:7](=[O:8])[NH:9][c:10]2[cH:11][c:12]([O:13][c:14]3[cH:15][c:16](-[c:20]4[cH:21][c:22]([C:25](=[O:27])[N:64]5[CH2:65][CH:66]([OH:69])[CH2:67][CH2:68]5)[cH:23][nH:24]4)[n:17][cH:18][cH:19]3)[cH:28][cH:29][cH:30]2)[o:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 982104-HydroxypyrrolidineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 510017795-(4-{3-[(3-methyl-2-furoyl)amino]phenoxy}pyridin-2-yl)-1H-pyrrole-3-carboxylic acid

Product 1

HCID 75599352N-[3-[[2-[4-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-methylfuran-2-carboxamide

Sources & evidence

ORD record
ord-68fb8ff61bff4c4caf3969296cbf72fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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