Sodium ion → 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(3-methylmorpholin-4-yl)methyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine

HRID 314502Notes

Reaction equation

HRID 314502 reaction equation
[C:52]([BH3-:53])#[N:54].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:1][CH:2]1[CH2:3][O:4][CH2:5][CH2:6][NH:7]1.[CH3:61][CH2:62][O-:63].[CH3:65][CH2:66][O-:67].[CH3:68][CH2:69][O-:70].[CH3:71][CH2:72][O-:73].[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[c:24]([NH:31][c:32]4[cH:33][n:34][c:35]([O:39][CH3:40])[c:36]([F:38])[cH:37]4)[n:25][cH:26][c:27]([CH:28]=[O:29])[cH:30]3)[n:19][c:20]([CH3:22])[n:21]2)[CH2:41][c:42]2[cH:43][cH:44][c:45]([O:48][CH3:49])[cH:46][cH:47]2)[cH:50][cH:51]1.[Na+:55].[Ti+4:64]>>[CH3:1][CH:2]1[CH2:3][O:4][CH2:5][CH2:6][N:7]1[CH2:28][c:27]1[cH:26][n:25][c:24]([NH:31][c:32]2[cH:33][n:34][c:35]([O:39][CH3:40])[c:36]([F:38])[cH:37]2)[c:23](-[c:18]2[n:17][c:16]([N:15]([CH2:14][c:13]3[cH:12][cH:11][c:10]([O:9][CH3:8])[cH:51][cH:50]3)[CH2:41][c:42]3[cH:43][cH:44][c:45]([O:48][CH3:49])[cH:46][cH:47]3)[n:21][c:20]([CH3:22])[n:19]2)[cH:30]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 114942Titanium cation (4+)HCID 1194401-Hydroxyethyl radical4×HCID 2921033-MethylmorpholineHCID 498716Cyano-borohydrideHCID 715003625-(4-(Bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-(5-fluoro-6-methoxypyridin-3-ylamino)nicotinaldehyde

Product 1

HCID 666113344-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(3-methylmorpholin-4-yl)methyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine

Sources & evidence

ORD record
ord-6e0859b3dbe34c54a4cfa18bdb900cc9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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