Acetate → HCID 178500144, compound

HRID 297992Notes

Reaction equation

HRID 297992 reaction equation
[CH2:48]([Cl:49])[Cl:50].[CH3:1][O:2][C:3]([CH2:4][CH2:5][CH2:6][CH2:7][c:8]1[cH:9][c:10]2[c:11]([o:12]1)[CH2:13][CH:14]([O:18][CH:19]1[O:20][CH2:21][CH2:22][CH2:23][CH2:24]1)[CH:15]2[CH2:16][OH:17])=[O:25].[CH3:27][C:28](=[O:29])[O-:30].[CH:57]([OH:58])([CH3:59])[CH3:60].[Mg+2:42].[Na+:26].[O-:43][S:44](=[O:45])(=[O:46])[O-:47].[O:31]=[Cr:32]([Cl:33])([O-:34])=[O:35].[cH:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1.[nH+:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][CH2:6][CH2:7][c:8]1[cH:9][c:10]2[c:11]([o:12]1)[CH2:13][CH:14]([O:18][CH:19]1[O:20][CH2:21][CH2:22][CH2:23][CH2:24]1)[CH:15]2[CH:16]=[O:17])=[O:25]

Participants

11

Reactant 10

HCID 175AcetateHCID 888Magnesium CationHCID 923Sodium ionHCID 1049PyridineHCID 1117Sulfate IonHCID 3776IsopropanolHCID 6344DichloromethaneHCID 4989215PyridiniumHCID 178418299HCID 178418299, compoundHCID 178500145HCID 178500145, compound

Product 1

HCID 178500144HCID 178500144, compound

Sources & evidence

ORD record
ord-e421fb49bb3c4756b75652bb06c2cb58
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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