Bicarbonate Ion → N5-(3-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-5-((4-(methylsulfonyl)piperazin-1-yl)methyl)pyridin-2-yl)pyridine-2,5-diamine

HRID 1535313Notes

Reaction equation

HRID 1535313 reaction equation
[C:66](=[O:67])([OH:68])[O-:69].[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][cH:36][c:37]([NH:40][C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[n: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)[CH2:48][c:49]2[cH:50][cH:51][c:52]([O:55][CH3:56])[cH:53][cH:54]2)[cH:57][cH:58]1.[Cl:71][CH2:72][Cl:73].[F:59][C:60]([F:61])([F:62])[C:63]([OH:64])=[O:65].[Na+:70]>>[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][cH:36][c:37]([NH2:40])[n: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)[CH2:48][c:49]2[cH:50][cH:51][c:52]([O:55][CH3:56])[cH:53][cH:54]2)[cH:57][cH:58]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 66611381HCID 66611381, compound

Product 1

HCID 66611149N5-(3-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-5-((4-(methylsulfonyl)piperazin-1-yl)methyl)pyridin-2-yl)pyridine-2,5-diamine

Sources & evidence

ORD record
ord-6529cac4f9af4af8aa57056ba9e188d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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