Bicarbonate Ion → 4-[4-Methyl-5-(2-methyl-quinolin-6-yl)-4H-[1,2,4]triazol-3-yl]-butyraldehyde

HRID 675856Notes

Reaction equation

HRID 675856 reaction equation
[C:32](=[O:33])([OH:34])[O-:35].[Na+:36].[O:1]1[CH:2]([CH2:7][CH2:8][CH2:9][c:10]2[n:11]([CH3:26])[c:12](-[c:15]3[cH:16][c:17]4[cH:18][cH:19][c:20]([CH3:25])[n:21][c:22]4[cH:23][cH:24]3)[n:13][n:14]2)[O:6][CH2:5][CH2:4][CH2:3]1.[OH2:37].[S:27](=[O:28])(=[O:29])([OH:30])[OH:31]>>[O:1]=[CH:2][CH2:7][CH2:8][CH2:9][c:10]1[n:11]([CH3:26])[c:12](-[c:15]2[cH:16][c:17]3[cH:18][cH:19][c:20]([CH3:25])[n:21][c:22]3[cH:23][cH:24]2)[n:13][n:14]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 1118Sulfuric AcidHCID 693120036-[5-(3-[1,3]Dioxan-2-yl-propyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-2-methyl-quinoline

Product 1

HCID 865941724-[4-Methyl-5-(2-methyl-quinolin-6-yl)-4H-[1,2,4]triazol-3-yl]-butyraldehyde

Sources & evidence

ORD record
ord-71ef8306ec7446df9e5411818a9f43b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…