Acetic Acid → HCID 20333085, compound

HRID 188957Notes

Reaction equation

HRID 188957 reaction equation
[CH2:1]=[O:2].[CH3:33][C:34](=[O:35])[OH:36].[CH3:3][O:4][c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][C:12]([NH:13][CH:14]2[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)=[O:20])[cH:21][cH:22]1.[NH3:32].[OH2:37].[nH:23]1[cH:24][cH:25][c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]12>>[CH2:1]([N:17]1[CH2:16][CH2:15][CH:14]([NH:13][C:12]([NH:11][C:9]([c:8]2[cH:7][cH:6][c:5]([O:4][CH3:3])[cH:22][cH:21]2)=[O:10])=[O:20])[CH2:19][CH2:18]1)[c:25]1[cH:24][nH:23][c:31]2[c:26]1[cH:27][cH:28][cH:29][cH:30]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 222AmmoniaHCID 712FormaldehydeHCID 798IndoleHCID 962WaterHCID 12608612HCID 12608612, compound

Product 1

HCID 20333085HCID 20333085, compound

Sources & evidence

ORD record
ord-568c1a4b736c41cb9c6dda01fe3d738d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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