Bicarbonate Ion → 4-[2-fluoro-5-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine

HRID 1568515Notes

Reaction equation

HRID 1568515 reaction equation
[C:56](=[O:57])([OH:58])[O-:59].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[CH3:68][S:69]([Cl:70])(=[O:71])=[O:72].[CH3:8][O:9][c:10]1[cH:11][cH:12][c:13]([CH2:14][N:15]([c:16]2[n:17][c:18](-[c:23]3[cH:24][c:25]([CH:30]([CH3:31])[N:32]4[CH2:33][CH2:34][N:35]([C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH2:36][CH2:37]4)[cH:26][n:27][c:28]3[F:29])[n:19][c:20]([CH3:22])[n:21]2)[CH2:45][c:46]2[cH:47][cH:48][c:49]([O:52][CH3:53])[cH:50][cH:51]2)[cH:54][cH:55]1.[Cl:73][CH2:74][Cl:75].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[Na+:60].[OH2:76]>>[CH3:8][O:9][c:10]1[cH:11][cH:12][c:13]([CH2:14][N:15]([c:16]2[n:17][c:18](-[c:23]3[cH:24][c:25]([CH:30]([CH3:31])[N:32]4[CH2:33][CH2:34][N:35]([S:69]([CH3:68])(=[O:71])=[O:72])[CH2:36][CH2:37]4)[cH:26][n:27][c:28]3[F:29])[n:19][c:20]([CH3:22])[n:21]2)[CH2:45][c:46]2[cH:47][cH:48][c:49]([O:52][CH3:53])[cH:50][cH:51]2)[cH:54][cH:55]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 66611395Tert-butyl 4-(1-(5-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-fluoropyridin-3-yl)ethyl)piperazine-1-carboxylate

Product 1

HCID 666114784-[2-fluoro-5-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine

Sources & evidence

ORD record
ord-e4879b5cd35b4852b66d4f4a96b900f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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