Hydrochloric Acid → 1-(2-fluoro-5-methylphenyl)-3-[4-[[2-[4-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]urea

HRID 203362Notes

Reaction equation

HRID 203362 reaction equation
[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[ClH:73].[F:1][c:2]1[c:3]([NH:9][C:10](=[O:11])[NH:12][c:13]2[cH:14][cH:15][c:16]([O:17][c:18]3[cH:19][c:20](-[c:24]4[cH:25][c:26]([C:29](=[O:30])[OH:31])[cH:27][nH:28]4)[n:21][cH:22][cH:23]3)[cH:32][cH:33]2)[cH:4][c:5]([CH3:8])[cH:6][cH:7]1.[NH:67]1[CH2:68][CH:69]([OH:72])[CH2:70][CH2:71]1.[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[OH2:79].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[F:1][c:2]1[c:3]([NH:9][C:10](=[O:11])[NH:12][c:13]2[cH:14][cH:15][c:16]([O:17][c:18]3[cH:19][c:20](-[c:24]4[cH:25][c:26]([C:29](=[O:30])[N:67]5[CH2:68][CH:69]([OH:72])[CH2:70][CH2:71]5)[cH:27][nH:28]4)[n:21][cH:22][cH:23]3)[cH:32][cH:33]2)[cH:4][c:5]([CH3:8])[cH:6][cH:7]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 510012875-{4-[4-({[(2-fluoro-5-methylphenyl)amino]carbonyl}amino)phenoxy]pyridin-2-yl}-1H-pyrrole-3-carboxylic acid

Product 1

HCID 772503331-(2-fluoro-5-methylphenyl)-3-[4-[[2-[4-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]urea

Sources & evidence

ORD record
ord-0055744d9bcc44bbbdea103d169144be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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