Acetic Acid → HCID 69286949, compound

HRID 315938Notes

Reaction equation

HRID 315938 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][c:8]([N:11]([c:12]2[cH:13][c:14]([O:20][CH3:21])[c:15]([O:18][CH3:19])[cH:16][cH:17]2)[C:22]([c:23]2[c:24]([Cl:29])[cH:25][cH:26][cH:27][cH:28]2)=[O:30])[s:9][cH:10]1.[CH3:31][C:32](=[O:33])[OH:34].[ClH:35].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1>>[O:3]=[C:4]([OH:5])[c:6]1[n:7][c:8]([N:11]([c:12]2[cH:13][c:14]([O:20][CH3:21])[c:15]([O:18][CH3:19])[cH:16][cH:17]2)[C:22]([c:23]2[c:24]([Cl:29])[cH:25][cH:26][cH:27][cH:28]2)=[O:30])[s:9][cH:10]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 11201703HCID 11201703, compound

Product 1

HCID 69286949HCID 69286949, compound

Sources & evidence

ORD record
ord-e07486435bd3478d983bb1ab40187c05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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