Acetic Acid → HCID 178458711, compound

HRID 190565Notes

Reaction equation

HRID 190565 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.[F:1][c:2]1[cH:3][c:4]([CH2:8][CH2:9][NH:10][C:11]2=[N:15][C:14](=[O:16])[CH2:13][S:12]2)[cH:5][cH:6][cH:7]1.[OH2:39]>>[F:1][c:2]1[cH:3][c:4]([CH2:8][CH2:9][NH:10][C:11]2=[N:15][C:14](=[O:16])[C:13](=[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:12]2)[cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 587243116-Formyl-4-isopropoxy-[1,5]naphthyridine-3-carbonitrileHCID 178516943HCID 178516943, compound

Product 1

HCID 178458711HCID 178458711, compound

Sources & evidence

ORD record
ord-a97d5041b45c4106809229516e035ba2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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