Chloride → Golvatinib

HRID 2330244Notes

Reaction equation

HRID 2330244 reaction equation
[CH3:3][O:4][c:5]1[n:6][c:7]([O:8][CH3:9])[n:10][c:11]([N+:12]2([CH3:13])[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[n:19]1.[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[Cl-:2].[F:20][c:21]1[c:22]([NH:50][C:51](=[O:52])[C:53]2([C:56](=[O:57])[OH:58])[CH2:54][CH2:55]2)[cH:23][cH:24][c:25]([O:27][c:28]2[cH:29][c:30]([NH:34][C:35](=[O:36])[N:37]3[CH2:38][CH2:39][CH:40]([N:43]4[CH2:44][CH2:45][N:46]([CH3:49])[CH2:47][CH2:48]4)[CH2:41][CH2:42]3)[n:31][cH:32][cH:33]2)[cH:26]1.[NH2:59][c:60]1[cH:61][cH:62][c:63]([F:64])[cH:65][cH:66]1.[Na+:67].[O:77]1[CH2:78][CH2:79][CH2:80][CH2:81]1.[OH2:1].[OH:68][C:69](=[O:70])[O-:71]>>[F:20][c:21]1[c:22]([NH:50][C:51](=[O:52])[C:53]2([C:56](=[O:57])[NH:59][c:60]3[cH:61][cH:62][c:63]([F:64])[cH:65][cH:66]3)[CH2:54][CH2:55]2)[cH:23][cH:24][c:25]([O:27][c:28]2[cH:29][c:30]([NH:34][C:35](=[O:36])[N:37]3[CH2:38][CH2:39][CH:40]([N:43]4[CH2:44][CH2:45][N:46]([CH3:49])[CH2:47][CH2:48]4)[CH2:41][CH2:42]3)[n:31][cH:32][cH:33]2)[cH:26]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 97314-FluoroanilineHCID 27340604-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-iumHCID 247886301-[2-Fluoro-4-(2-{[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino}pyridin-4-yloxy)phenylcarbamoyl]cyclopropanecarboxylic acid

Product 1

HCID 16118392Golvatinib

Sources & evidence

ORD record
ord-5a7fbddaab8249949c54628f87781354
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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