Bicarbonate Ion → HCID 57749247, compound

HRID 2336446Notes

Reaction equation

HRID 2336446 reaction equation
[C:49](=[O:50])([O-:51])[OH:52].[CH3:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[OH:10])[cH:6][n:7]1.[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[Cl:11][C:12]([C:13]([Cl:14])=[O:15])=[O:16].[NH2:17][c:18]1[n:19][n:20]2[c:21]([cH:22][cH:23][c:24]([O:26][c:27]3[cH:28][c:29]([NH:34][C:35]([c:36]4[cH:37][c:38]([C:42]([CH3:43])([CH3:44])[C:45]#[N:46])[cH:39][cH:40][cH:41]4)=[O:47])[cH:30][cH:31][c:32]3[CH3:33])[cH:25]2)[n:48]1.[Na+:53].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[cH:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:10])[NH:17][c:18]2[n:19][n:20]3[c:21]([cH:22][cH:23][c:24]([O:26][c:27]4[cH:28][c:29]([NH:34][C:35]([c:36]5[cH:37][c:38]([C:42]([CH3:43])([CH3:44])[C:45]#[N:46])[cH:39][cH:40][cH:41]5)=[O:47])[cH:30][cH:31][c:32]4[CH3:33])[cH:25]3)[n:48]2)[cH:6][n:7]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1049PyridineHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 65578Oxalyl chlorideHCID 1378606-Methylnicotinic acidHCID 68985382N-{3-[(2-amino[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]-4-methylphenyl}-3-(1-cyano-1-methylethyl)benzamide

Product 1

HCID 57749247HCID 57749247, compound

Sources & evidence

ORD record
ord-0977b0f3c0af4e39b2bdf60798e848f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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