Acetic Acid → HCID 178458708, compound

HRID 2146455Notes

Reaction equation

HRID 2146455 reaction equation
[C:34]([OH:35])(=[O:36])[CH3:37].[CH:16](=[O:17])[c:18]1[n:19][c:20]2[c:21]([O:30][CH:31]([CH3:32])[CH3:33])[c:22]([C:28]#[N:29])[cH:23][n:24][c:25]2[cH:26][cH:27]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][cH:14][cH:15]1.[OH2:38]>>[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:6]2=[N:10][C:9](=[O:11])[C:8](=[CH:16][c:18]3[n:19][c:20]4[c:21]([O:30][CH:31]([CH3:32])[CH3:33])[c:22]([C:28]#[N:29])[cH:23][n:24][c:25]4[cH:26][cH:27]3)[S:7]2)[cH:12][cH:13][cH:14][cH:15]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 587243116-Formyl-4-isopropoxy-[1,5]naphthyridine-3-carbonitrileHCID 178516939HCID 178516939, compound

Product 1

HCID 178458708HCID 178458708, compound

Sources & evidence

ORD record
ord-eb9fca9deafc4b65b84091ee9c07c76d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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