Acetic Acid → HCID 178458709, compound

HRID 320432Notes

Reaction equation

HRID 320432 reaction equation
[C:35]([OH:36])(=[O:37])[CH3:38].[CH:17](=[O:18])[c:19]1[n:20][c:21]2[c:22]([O:31][CH:32]([CH3:33])[CH3:34])[c:23]([C:29]#[N:30])[cH:24][n:25][c:26]2[cH:27][cH:28]1.[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:6]2=[N:10][C:9](=[O:11])[CH2:8][S:7]2)[cH:12][cH:13][c:14]([F:16])[cH:15]1.[OH2:39]>>[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:6]2=[N:10][C:9](=[O:11])[C:8](=[CH:17][c:19]3[n:20][c:21]4[c:22]([O:31][CH:32]([CH3:33])[CH3:34])[c:23]([C:29]#[N:30])[cH:24][n:25][c:26]4[cH:27][cH:28]3)[S:7]2)[cH:12][cH:13][c:14]([F:16])[cH:15]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 587243116-Formyl-4-isopropoxy-[1,5]naphthyridine-3-carbonitrileHCID 178516940HCID 178516940, compound

Product 1

HCID 178458709HCID 178458709, compound

Sources & evidence

ORD record
ord-231a731876a346b6b99a43961a9ae105
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…