Acetic Acid → HCID 69456164, compound

HRID 172895Notes

Reaction equation

HRID 172895 reaction equation
[CH2:8]([CH3:9])[N:10]([CH2:11][CH3:12])[CH2:13][c:14]1[cH:15][c:16]([NH2:17])[cH:18][cH:19][cH:20]1.[CH3:1][C:2](=[O:3])[CH2:4][C:5]([CH3:6])=[O:7].[CH3:32][C:33](=[O:34])[OH:35].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[c:21]1([CH3:22])[cH:23][cH:24][c:25]([S:26]([OH:27])(=[O:28])=[O:29])[cH:30][cH:31]1>>[CH3:1][C:2](=[CH:4][C:5]([CH3:6])=[O:7])[NH:17][c:16]1[cH:15][c:14]([CH2:13][N:10]([CH2:8][CH3:9])[CH2:11][CH3:12])[cH:20][cH:19][cH:18]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 31261AcetylacetoneHCID 3359246(3-Aminobenzyl)diethylamine

Product 1

HCID 69456164HCID 69456164, compound

Sources & evidence

ORD record
ord-1d21c7062b28480d8393762d1f2060c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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