Water → N-(2-fluoro-5-methylphenyl)-3-[(2-{4-[(3-hydroxypyrrolidin-1-yl)carbonyl]-1H-pyrrol-2-yl}pyridin-4-yl)oxy]benzamide

HRID 316983Notes

Reaction equation

HRID 316983 reaction equation
[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[F:1][c:2]1[c:3]([NH:9][C:10](=[O:11])[c:12]2[cH:13][c:14]([O:15][c:16]3[cH:17][c:18](-[c:22]4[cH:23][c:24]([C:27](=[O:28])[OH:29])[cH:25][nH:26]4)[n:19][cH:20][cH:21]3)[cH:30][cH:31][cH:32]2)[cH:4][c:5]([CH3:8])[cH:6][cH:7]1.[NH:66]1[CH2:67][CH:68]([OH:71])[CH2:69][CH2:70]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH2:77].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[F:1][c:2]1[c:3]([NH:9][C:10](=[O:11])[c:12]2[cH:13][c:14]([O:15][c:16]3[cH:17][c:18](-[c:22]4[cH:23][c:24]([C:27](=[O:28])[N:66]5[CH2:67][CH:68]([OH:71])[CH2:69][CH2:70]5)[cH:25][nH:26]4)[n:19][cH:20][cH:21]3)[cH:30][cH:31][cH:32]2)[cH:4][c:5]([CH3:8])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 982104-HydroxypyrrolidineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 510016265-{4-[3-(2-Fluoro-5-methyl-phenylcarbamoyl)-phenoxy]-pyridin-2-yl}-1H-pyrrole-3-carboxylic acid

Product 1

HCID 67042283N-(2-fluoro-5-methylphenyl)-3-[(2-{4-[(3-hydroxypyrrolidin-1-yl)carbonyl]-1H-pyrrol-2-yl}pyridin-4-yl)oxy]benzamide

Sources & evidence

ORD record
ord-24b0a570c8fa421e96c6de1393c0f289
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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