Sodium ion → N-cyclopropyl-3-(3-(isopropylamino)-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-4-methylbenzamide

HRID 1133786Notes

Reaction equation

HRID 1133786 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[c:8]([NH:11][CH:12]([CH3:13])[CH3:14])[n:9][n:10]2.[C:38](=[O:39])([O-:40])[O-:41].[CH3:44][O:45][CH2:46][CH2:47][O:48][CH3:49].[CH:15]1([NH:18][C:19]([c:20]2[cH:21][c:22]([B:27]3[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]3)[c:23]([CH3:26])[cH:24][cH:25]2)=[O:36])[CH2:16][CH2:17]1.[Na+:42].[Na+:43].[OH2:37].[OH2:50]>>[c:2]1(-[c:22]2[cH:21][c:20]([C:19]([NH:18][CH:15]3[CH2:16][CH2:17]3)=[O:36])[cH:25][cH:24][c:23]2[CH3:26])[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[c:8]([NH:11][CH:12]([CH3:13])[CH3:14])[n:9][n:10]2

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962Water2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 21914577N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideHCID 592613827-bromo-N-isopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine

Product 1

HCID 59261377N-cyclopropyl-3-(3-(isopropylamino)-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-4-methylbenzamide

Sources & evidence

ORD record
ord-f30cffa0ff734b45ae1900249ad828ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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