Acetic Acid → HCID 59303232, compound

HRID 683777Notes

Reaction equation

HRID 683777 reaction equation
[C:25](=[O:26])([O-:27])[O-:28].[C:31]([OH:32])(=[O:33])[CH3:34].[CH3:42][OH:43].[Cl:1][CH2:2][CH:3]1[CH2:4][N:5]([C:19](=[O:20])[C:21]([F:22])([F:23])[F:24])[c:6]2[cH:7][cH:8][c:9]3[c:10]([c:11]21)[c:12]([N+:16](=[O:17])[O-:18])[cH:13][cH:14][cH:15]3.[Cs+:29].[Cs+:30].[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[OH2:41]>>[Cl:1][CH2:2][CH:3]1[CH2:4][NH:5][c:6]2[cH:7][cH:8][c:9]3[c:10]([c:11]21)[c:12]([N+:16](=[O:17])[O-:18])[cH:13][cH:14][cH:15]3

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 44549147HCID 44549147, compound

Product 1

HCID 59303232HCID 59303232, compound

Sources & evidence

ORD record
ord-8661564bfaf343dcb4d472e3ecd736ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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