Acetic Acid → HCID 67040433, compound

HRID 107068Notes

Reaction equation

HRID 107068 reaction equation
[CH3:45][C:46](=[O:47])[OH:48].[CH3:50][CH2:51][OH:52].[Fe:49].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16]([NH:17][c:18]1[cH:19][cH:20][c:21]([S:24][c:25]3[c:26]([N+:41]([O-:42])=[O:43])[cH:27][c:28]([NH:31][C:32](=[O:33])[c:34]4[n:35][cH:36][c:37]([Br:40])[cH:38][cH:39]4)[cH:29][cH:30]3)[cH:22][cH:23]1)=[O:44])[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16]([NH:17][c:18]1[cH:19][cH:20][c:21]([S:24][c:25]3[c:26]([NH2:41])[cH:27][c:28]([NH:31][C:32](=[O:33])[c:34]4[n:35][cH:36][c:37]([Br:40])[cH:38][cH:39]4)[cH:29][cH:30]3)[cH:22][cH:23]1)=[O:44])[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 702EthanolHCID 23925IronHCID 67040826HCID 67040826, compound

Product 1

HCID 67040433HCID 67040433, compound

Sources & evidence

ORD record
ord-5f3980154ed143ff9ac5bce4bb85bb96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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