Bicarbonate Ion → 2-(5-(4-(Bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-(5-fluoro-6-methoxypyridin-3-ylamino)pyridin-3-yl)-2-morpholinopropanenitrile

HRID 2341043Notes

Reaction equation

HRID 2341043 reaction equation
[C:52](#[N:53])[Al:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH2:46]1[CH2:47][O:48][CH2:49][CH2:50][NH:51]1.[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[cH:17][c:18]([C:32]([CH3:33])=[O:34])[cH:19][n:20][c:21]3[NH:22][c:23]3[cH:24][n:25][c:26]([O:30][CH3:31])[c:27]([F:29])[cH:28]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:35][c:36]2[cH:37][cH:38][c:39]([O:42][CH3:43])[cH:40][cH:41]2)[cH:44][cH:45]1.[CH3:84][CH2:85][O:86][C:87]([CH3:88])=[O:89].[CH:67]([O:68][Ti:69]([O:70][CH:71]([CH3:72])[CH3:73])([O:74][CH:75]([CH3:76])[CH3:77])[O:78][CH:79]([CH3:80])[CH3:81])([CH3:82])[CH3:83].[Cl:64][CH2:65][Cl:66].[Na+:63].[O-:59][C:60]([OH:61])=[O:62]>>[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[cH:17][c:18]([C:32]([CH3:33])([N:51]4[CH2:46][CH2:47][O:48][CH2:49][CH2:50]4)[C:52]#[N:53])[cH:19][n:20][c:21]3[NH:22][c:23]3[cH:24][n:25][c:26]([O:30][CH3:31])[c:27]([F:29])[cH:28]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:35][c:36]2[cH:37][cH:38][c:39]([O:42][CH3:43])[cH:40][cH:41]2)[cH:44][cH:45]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 8083MorpholineHCID 8857Ethyl AcetateHCID 16683962(cyano-C)diethylaluminiumHCID 666002411-(5-(4-(Bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-YL)-6-(5-fluoro-6-methoxypyridin-3-ylamino)pyridin-3-YL)ethanoneHCID 178460666HCID 178460666, compound

Product 1

HCID 666114652-(5-(4-(Bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-(5-fluoro-6-methoxypyridin-3-ylamino)pyridin-3-yl)-2-morpholinopropanenitrile

Sources & evidence

ORD record
ord-01c91949cb8b475f9ebb587fd1c4dbda
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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