Acetate → HCID 11739485, compound

HRID 702030Notes

Reaction equation

HRID 702030 reaction equation
[CH3:13][C:14](=[O:15])[O-:16].[CH3:17][c:18]1[cH:19][cH:20][c:21]2[n:22]([cH:23]1)[c:24]([CH2:34][CH:35]([OH:36])[c:37]1[s:38][cH:39][cH:40][cH:41]1)[c:25](-[c:27]1[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]1)[n:26]2.[Cl:43][CH2:44][Cl:45].[Na+:12].[O:1]=[Cr:2]([Cl:3])([O-:4])=[O:5].[OH2:42].[nH+:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1>>[CH3:17][c:18]1[cH:19][cH:20][c:21]2[n:22]([cH:23]1)[c:24]([CH2:34][C:35](=[O:36])[c:37]1[s:38][cH:39][cH:40][cH:41]1)[c:25](-[c:27]1[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]1)[n:26]2

Participants

8

Reactant 7

HCID 175AcetateHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 4989215PyridiniumHCID 58763562HCID 58763562, compoundHCID 178418299HCID 178418299, compound

Product 1

HCID 11739485HCID 11739485, compound

Sources & evidence

ORD record
ord-1b3866d3bdee420682703ac7d0a9f975
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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