Acetic Acid → HCID 22724338, compound

HRID 681871Notes

Reaction equation

HRID 681871 reaction equation
[CH3:28][C:29](=[O:30])[OH:31].[CH3:32][CH2:33][OH:34].[Fe:35].[N+:1]([O-:2])(=[O:3])[c:4]1[c:5]([CH2:6][c:7]2[n:8][c:9]3[c:10]([n:11](-[c:14]4[cH:15][cH:16][cH:17][cH:18][cH:19]4)[c:12]2=[O:13])[n:20][cH:21][cH:22][cH:23]3)[cH:24][cH:25][cH:26][cH:27]1>>[NH2:1][c:4]1[c:5]([CH2:6][c:7]2[n:8][c:9]3[c:10]([n:11](-[c:14]4[cH:15][cH:16][cH:17][cH:18][cH:19]4)[c:12]2=[O:13])[n:20][cH:21][cH:22][cH:23]3)[cH:24][cH:25][cH:26][cH:27]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 702EthanolHCID 23925IronHCID 22724421HCID 22724421, compound

Product 1

HCID 22724338HCID 22724338, compound

Sources & evidence

ORD record
ord-8bde355765df43ad97523cb29faeea48
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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