Acetate → HCID 73753161, compound

HRID 196355Notes

Reaction equation

HRID 196355 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([O:23][CH3:24])[c:6]([CH2:20][CH2:21][CH3:22])[c:7]([CH2:10][O:11][c:12]2[cH:13][cH:14][c:15]([CH:16]=[O:17])[cH:18][cH:19]2)[cH:8][cH:9]1.[CH3:26][C:27](=[O:28])[O-:29].[CH3:37][C:38](=[O:39])[OH:40].[Na+:25].[S:30]1[C:31](=[S:32])[NH:33][C:34](=[O:35])[CH2:36]1>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([O:23][CH3:24])[c:6]([CH2:20][CH2:21][CH3:22])[c:7]([CH2:10][O:11][c:12]2[cH:13][cH:14][c:15]([CH:16]=[C:36]3[S:30][C:31](=[S:32])[NH:33][C:34]3=[O:35])[cH:18][cH:19]2)[cH:8][cH:9]1

Participants

6

Reactant 5

HCID 175AcetateHCID 176Acetic AcidHCID 923Sodium ionHCID 1201546RhodanineHCID 21191265HCID 21191265, compound

Product 1

HCID 73753161HCID 73753161, compound

Sources & evidence

ORD record
ord-7321249b575e4926b3a6f21e7f674cb1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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