Acetic Acid → HCID 54554601, compound

HRID 125897Notes

Reaction equation

HRID 125897 reaction equation
[CH3:33][C:34](=[O:35])[OH:36].[CH3:37][CH:38]([OH:39])[CH3:40].[NH2:1][N:2]1[CH2:3][CH2:4][N:5]([CH:8]2[c:9]3[c:10]([cH:21][cH:22][cH:23][cH:24]3)[C:11]([C:19]#[N:20])=[CH:12][c:13]3[c:14]2[cH:15][cH:16][cH:17][cH:18]3)[CH2:6][CH2:7]1.[n:25]1[c:26]([CH:31]=[O:32])[cH:27][cH:28][cH:29][cH:30]1>>[N:1]([N:2]1[CH2:3][CH2:4][N:5]([CH:8]2[c:9]3[c:10]([cH:21][cH:22][cH:23][cH:24]3)[C:11]([C:19]#[N:20])=[CH:12][c:13]3[c:14]2[cH:15][cH:16][cH:17][cH:18]3)[CH2:6][CH2:7]1)=[CH:31][c:26]1[n:25][cH:30][cH:29][cH:28][cH:27]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 3776IsopropanolHCID 142732-PyridinecarboxaldehydeHCID 12338802HCID 12338802, compound

Product 1

HCID 54554601HCID 54554601, compound

Sources & evidence

ORD record
ord-c70b6cc47be841bc939943d51033daa8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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