Sodium ion → 4-(5-(2-azidopropan-2-yl)-2-(6-methoxypyridin-3-ylamino)pyridin-3-yl)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine

HRID 92038Notes

Reaction equation

HRID 92038 reaction equation
[CH3:5][O:6][c:7]1[cH:8][cH:9][c:10]([CH2:11][N:12]([c:13]2[n:14][c:15]([CH3:37])[n:16][c:17](-[c:19]3[c:20]([NH:28][c:29]4[cH:30][n:31][c:32]([O:35][CH3:36])[cH:33][cH:34]4)[n:21][cH:22][c:23]([C:25](=[CH2:26])[CH3:27])[cH:24]3)[n:18]2)[CH2:38][c:39]2[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]2)[cH:47][cH:48]1.[Cl:58][CH:59]([Cl:60])[Cl:61].[N-:2]=[N+:3]=[N-:4].[Na+:1].[Na+:57].[OH-:56].[OH:49][C:50]([C:51]([F:52])([F:53])[F:54])=[O:55]>>[N:2](=[N+:3]=[N-:4])[C:25]([c:23]1[cH:22][n:21][c:20]([NH:28][c:29]2[cH:30][n:31][c:32]([O:35][CH3:36])[cH:33][cH:34]2)[c:19](-[c:17]2[n:16][c:15]([CH3:37])[n:14][c:13]([N:12]([CH2:11][c:10]3[cH:9][cH:8][c:7]([O:6][CH3:5])[cH:48][cH:47]3)[CH2:38][c:39]3[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]3)[n:18]2)[cH:24]1)([CH3:26])[CH3:27]

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 961HydroxideHCID 6212ChloroformHCID 6422Trifluoroacetic acidHCID 33558AzideHCID 66612146HCID 66612146, compound

Product 1

HCID 866470644-(5-(2-azidopropan-2-yl)-2-(6-methoxypyridin-3-ylamino)pyridin-3-yl)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine

Sources & evidence

ORD record
ord-334f1a21f7e84ffd9c76f9d54985c1c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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