Acetate → HCID 178436900, compound

HRID 695750Notes

Reaction equation

HRID 695750 reaction equation
[CH2:44]([OH:45])[CH3:46].[CH2:47]([Cl:48])[Cl:49].[CH2:6]([CH3:7])[C:8]1([CH:26]=[C:27]([C:28](=[O:29])[O:30][CH3:31])[O:32][CH3:33])[CH2:9][CH2:10][CH2:11][N+:12]2=[C:17]1[c:16]1[c:15]([c:24]3[c:19]([nH:18]1)[cH:20][cH:21][c:22]([F:25])[cH:23]3)[CH2:14][CH2:13]2.[CH3:35][C:36](=[O:37])[O-:38].[CH3:39][CH2:40][OH:41].[Cl+3:1]([O-:2])([O-:3])([O-:4])[O-:5].[H:42][H:43].[K+:34].[OH2:50]>>[CH2:6]([CH3:7])[C:8]1([CH:26]=[C:27]([C:28](=[O:29])[O:30][CH3:31])[O:32][CH3:33])[CH2:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][c:15]3[c:16]([nH:18][c:19]4[cH:20][cH:21][c:22]([F:25])[cH:23][c:24]34)[CH:17]12

Participants

9

Reactant 8

HCID 175AcetateHCID 702Ethanol2×HCID 813Potassium CationHCID 962WaterHCID 6344DichloromethaneHCID 123351PerchlorateHCID 178418361HCID 178418361, compoundHCID 178436899HCID 178436899, compound

Product 1

HCID 178436900HCID 178436900, compound

Sources & evidence

ORD record
ord-954d11fb581f4806a4c4e0f3ab189191
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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