Acetic Acid → HCID 19610573, compound

HRID 2162313Notes

Reaction equation

HRID 2162313 reaction equation
[CH3:19][C:20](=[O:21])[OH:22].[CH3:34][OH:35].[NH2:1][c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:11][c:12]3[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]3)[c:10]12.[OH:23][c:24]1[cH:25][c:26]([CH:27]=[O:28])[cH:29][cH:30][c:31]1[O:32][CH3:33]>>[NH:1]([c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:11][c:12]3[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]3)[c:10]12)[CH2:27][c:26]1[cH:25][c:24]([OH:23])[c:31]([O:32][CH3:33])[cH:30][cH:29]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 887MethanolHCID 12127IsovanillinHCID 178509242HCID 178509242, compound

Product 1

HCID 19610573HCID 19610573, compound

Sources & evidence

ORD record
ord-2254cdb6474347ae839d7a508da2ad11
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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