Acetic Acid → AZD 1080

HRID 2316681Notes

Reaction equation

HRID 2316681 reaction equation
[CH3:31][C:32](=[O:33])[OH:34].[CH:27]([OH:28])([CH3:29])[CH3:30].[Fe:35].[OH:1][n:2]1[c:3]([OH:26])[c:4](-[c:13]2[n:14][cH:15][c:16]([CH2:19][N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[cH:17][cH:18]2)[c:5]2[cH:6][c:7]([C:11]#[N:12])[cH:8][cH:9][c:10]12>>[nH:2]1[c:3]([OH:26])[c:4](-[c:13]2[n:14][cH:15][c:16]([CH2:19][N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[cH:17][cH:18]2)[c:5]2[cH:6][c:7]([C:11]#[N:12])[cH:8][cH:9][c:10]12

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 3776IsopropanolHCID 23925IronHCID 135900033HCID 135900033, compound

Product 1

HCID 135564570AZD 1080

Sources & evidence

ORD record
ord-3ad14b77fc40477f97281314e57efaf7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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