Bicarbonate Ion → N-(4-(3-(4-Amino-6-methyl-1,3,5-triazin-2-YL)-5-((4-(methylsulfonyl)piperazin-1-YL)methyl)pyridin-2-ylamino)-2-fluorophenyl)acetamide

HRID 1127898Notes

Reaction equation

HRID 1127898 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[c:17]([NH:33][c:34]4[cH:35][c:36]([F:44])[c:37]([NH:40][C:41]([CH3:42])=[O:43])[cH:38][cH:39]4)[n:18][cH:19][c:20]([CH2:22][N:23]4[CH2:24][CH2:25][N:26]([S:29](=[O:30])(=[O:31])[CH3:32])[CH2:27][CH2:28]4)[cH:21]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:45][c:46]2[cH:47][cH:48][c:49]([O:50][CH3:51])[cH:52][cH:53]2)[cH:54][cH:55]1.[F:63][C:64]([F:65])([F:66])[S:67]([OH:68])(=[O:69])=[O:70].[Na+:75].[O-:71][C:72]([OH:73])=[O:74].[OH:56][C:57]([C:58]([F:59])([F:60])[F:61])=[O:62]>>[NH2:8][c:9]1[n:10][c:11](-[c:16]2[c:17]([NH:33][c:34]3[cH:35][c:36]([F:44])[c:37]([NH:40][C:41]([CH3:42])=[O:43])[cH:38][cH:39]3)[n:18][cH:19][c:20]([CH2:22][N:23]3[CH2:24][CH2:25][N:26]([S:29](=[O:30])(=[O:31])[CH3:32])[CH2:27][CH2:28]3)[cH:21]2)[n:12][c:13]([CH3:15])[n:14]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 62406Trifluoromethanesulfonic acidHCID 66610986HCID 66610986, compound

Product 1

HCID 59548224N-(4-(3-(4-Amino-6-methyl-1,3,5-triazin-2-YL)-5-((4-(methylsulfonyl)piperazin-1-YL)methyl)pyridin-2-ylamino)-2-fluorophenyl)acetamide

Sources & evidence

ORD record
ord-7b27920b9b5544fca17def66fb6fd5f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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