Acetic Acid → HCID 20333087, compound

HRID 691725Notes

Reaction equation

HRID 691725 reaction equation
[CH2:1]=[O:2].[CH3:32][C:33](=[O:34])[OH:35].[F:12][c:13]1[cH:14][cH:15][c:16]([C:17](=[O:18])[NH:19][C:20]([NH:21][CH:22]2[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)=[O:28])[cH:29][cH:30]1.[NH3:31].[OH2:36].[nH:3]1[cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12>>[CH2:1]([c:5]1[cH:4][nH:3][c:11]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2)[N:25]1[CH2:24][CH2:23][CH:22]([NH:21][C:20]([NH:19][C:17]([c:16]2[cH:15][cH:14][c:13]([F:12])[cH:30][cH:29]2)=[O:18])=[O:28])[CH2:27][CH2:26]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 222AmmoniaHCID 712FormaldehydeHCID 798IndoleHCID 962WaterHCID 12608597HCID 12608597, compound

Product 1

HCID 20333087HCID 20333087, compound

Sources & evidence

ORD record
ord-99cbaaf2213a43d39a344e5315971eb2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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