Acetic Acid → HCID 68690170, compound

HRID 668607Notes

Reaction equation

HRID 668607 reaction equation
[CH3:44][C:45](=[O:46])[OH:47].[CH3:48][CH2:49][OH:50].[Fe:51].[N+:1]([O-:2])(=[O:3])[c:4]1[c:5]([C:10]([CH2:11][n:12]2[c:13](=[O:14])[n:15]([CH3:41])[c:16]3[n:17][c:18]([N:27]4[CH2:28][CH:29]([NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:30][CH2:31][CH2:32]4)[n:19]([CH2:23][CH:24]=[CH:25][CH3:26])[c:20]3[c:21]2=[O:22])=[O:42])[cH:6][cH:7][cH:8][cH:9]1.[OH2:43]>>[NH2:1][c:4]1[c:5]([C:10]([CH2:11][n:12]2[c:13](=[O:14])[n:15]([CH3:41])[c:16]3[n:17][c:18]([N:27]4[CH2:28][CH:29]([NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:30][CH2:31][CH2:32]4)[n:19]([CH2:23][CH:24]=[CH:25][CH3:26])[c:20]3[c:21]2=[O:22])=[O:42])[cH:6][cH:7][cH:8][cH:9]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 962WaterHCID 23925IronHCID 68695936HCID 68695936, compound

Product 1

HCID 68690170HCID 68690170, compound

Sources & evidence

ORD record
ord-791d1e1ecc824087a6a29505c98fdbf6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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