Acetic Acid → HCID 23015769, compound

HRID 2139673Notes

Reaction equation

HRID 2139673 reaction equation
[CH3:18][C:19](=[O:20])[OH:21].[CH3:1][C:2]1=[C:3]([c:10]2[c:11]([CH:12]=[O:13])[cH:14][cH:15][cH:16][cH:17]2)[CH:4]([CH3:9])[C:5]([CH3:8])=[C:6]1[CH3:7].[CH3:35][CH2:36][OH:37].[CH:22]([CH3:23])([CH3:24])[c:25]1[c:26]([NH2:27])[c:28]([CH:32]([CH3:33])[CH3:34])[cH:29][cH:30][cH:31]1>>[CH3:1][C:2]1=[C:3]([c:10]2[c:11]([CH:12]=[N:27][c:26]3[c:25]([CH:22]([CH3:23])[CH3:24])[cH:31][cH:30][cH:29][c:28]3[CH:32]([CH3:33])[CH3:34])[cH:14][cH:15][cH:16][cH:17]2)[CH:4]([CH3:9])[C:5]([CH3:8])=[C:6]1[CH3:7]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 702EthanolHCID 32484DiisopropylanilineHCID 23016034HCID 23016034, compound

Product 1

HCID 23015769HCID 23015769, compound

Sources & evidence

ORD record
ord-fb3bdcdaeea4404a9b4686ff749a83c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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