Acetate → HCID 73568328, compound

HRID 1233137Notes

Reaction equation

HRID 1233137 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([CH:15]=[O:16])[cH:17][cH:18]2)[cH:19][cH:20]1.[CH3:29][C:30](=[O:31])[O-:32].[CH3:33][C:34](=[O:35])[OH:36].[Na+:28].[S:21]1[C:22](=[S:23])[NH:24][C:25](=[O:26])[CH2:27]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([CH:15]=[C:27]3[S:21][C:22](=[S:23])[NH:24][C:25]3=[O:26])[cH:17][cH:18]2)[cH:19][cH:20]1

Participants

6

Reactant 5

HCID 175AcetateHCID 176Acetic AcidHCID 923Sodium ionHCID 1201546RhodanineHCID 23411144HCID 23411144, compound

Product 1

HCID 73568328HCID 73568328, compound

Sources & evidence

ORD record
ord-b908cff202f74012b21b0fec8164ca35
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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