Acetate → HCID 23028558, compound

HRID 2149165Notes

Reaction equation

HRID 2149165 reaction equation
[CH2:28]([OH:29])[CH2:30][CH2:31][CH3:32].[CH2:34]([N+:35]([CH2:36][CH2:37][CH2:38][CH3:39])([CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH3:50].[CH3:24][C:25](=[O:26])[O-:27].[CH:51]([Cl:52])([Cl:53])[Cl:54].[Cl:12][c:13]1[cH:14][cH:15][c:16]([S:19](=[O:20])[O-:21])[cH:17][cH:18]1.[I-:33].[K+:23].[Na+:22].[S:1]([Cl:2])([Cl:3])=[O:4].[o:5]1[cH:6][n:7][cH:8][c:9]1[CH2:10][OH:11]>>[o:5]1[cH:6][n:7][cH:8][c:9]1[CH2:10][S:19]([c:16]1[cH:15][cH:14][c:13]([Cl:12])[cH:18][cH:17]1)(=[O:20])=[O:21]

Participants

11

Reactant 10

HCID 175AcetateHCID 2631-ButanolHCID 813Potassium CationHCID 923Sodium ionHCID 6212ChloroformHCID 16028TetrabutylammoniumHCID 24386Thionyl ChlorideHCID 30165Iodide IonHCID 2772944-ChlorobenzenesulfinateHCID 187589851,3-Oxazol-5-ylmethanol

Product 1

HCID 23028558HCID 23028558, compound

Sources & evidence

ORD record
ord-b94b015b2c8e46e2b95008bc9f9d9c79
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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