Acetic Acid → HCID 58992595, compound

HRID 1560068Notes

Reaction equation

HRID 1560068 reaction equation
[CH3:36][C:37](=[O:38])[OH:39].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[s:9][c:10]([C:14](=[O:15])[NH:16][CH:17]3[CH2:18][N:19]([c:23]4[cH:24][cH:25][c:26]([N+:33]([O-:34])=[O:35])[c:27]([C:28](=[O:29])[O:30][CH3:31])[cH:32]4)[CH2:20][CH2:21][CH2:22]3)[c:11]([CH3:13])[n:12]2)[cH:6][cH:7]1.[Fe:40]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[s:9][c:10]([C:14](=[O:15])[NH:16][CH:17]3[CH2:18][N:19]([c:23]4[cH:24][cH:25][c:26]([NH2:33])[c:27]([C:28](=[O:29])[O:30][CH3:31])[cH:32]4)[CH2:20][CH2:21][CH2:22]3)[c:11]([CH3:13])[n:12]2)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 23925IronHCID 58992678HCID 58992678, compound

Product 1

HCID 58992595HCID 58992595, compound

Sources & evidence

ORD record
ord-8b3b04cf88a841aab7db28c65bf9f538
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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