Acetic Acid → HCID 67163670, compound

HRID 206981Notes

Reaction equation

HRID 206981 reaction equation
[CH3:1][C:2](=[O:3])[OH:4].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[Cl:5][c:6]1[cH:7][c:8]([C:13]2([C:30]([F:31])([F:32])[F:33])[CH2:14][C:15]([c:18]3[cH:19][c:20]([N+:27]([O-:28])=[O:29])[c:21]([C:22](=[O:23])[NH2:24])[cH:25][cH:26]3)=[N:16][O:17]2)[cH:9][c:10]([Cl:12])[cH:11]1.[Fe:41].[OH2:34]>>[Cl:5][c:6]1[cH:7][c:8]([C:13]2([C:30]([F:31])([F:32])[F:33])[CH2:14][C:15]([c:18]3[cH:19][c:20]([NH2:27])[c:21]([C:22](=[O:23])[NH2:24])[cH:25][cH:26]3)=[N:16][O:17]2)[cH:9][c:10]([Cl:12])[cH:11]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 8857Ethyl AcetateHCID 23925IronHCID 67164906HCID 67164906, compound

Product 1

HCID 67163670HCID 67163670, compound

Sources & evidence

ORD record
ord-6e710f3a8c054a1b93cd5b6df7206791
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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