Ethanol → 3-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide

HRID 2329016Notes

Reaction equation

HRID 2329016 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[c:8]([NH2:11])[n:9][n:10]2.[CH3:40][CH2:41][OH:42].[CH:12]1([NH:15][C:16]([c:17]2[cH:18][c:19]([B:24]3[O:25][C:26]([CH3:27])([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32]3)[c:20]([CH3:23])[cH:21][cH:22]2)=[O:33])[CH2:13][CH2:14]1.[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39]>>[c:2]1(-[c:19]2[cH:18][c:17]([C:16]([NH:15][CH:12]3[CH2:13][CH2:14]3)=[O:33])[cH:22][cH:21][c:20]2[CH3:23])[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[c:8]([NH2:11])[n:9][n:10]2

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 21914577N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideHCID 533932737-Bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine

Product 1

HCID 250541753-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide

Sources & evidence

ORD record
ord-7f4663c413ff4937ae87d44c0dbdbd31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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