Acetate → HCID 136088016, compound

HRID 119131Notes

Reaction equation

HRID 119131 reaction equation
[CH2:1]([C:2]#[C:3][CH3:4])[n:5]1[c:6]([N:16]2[CH2:17][CH:18]([N:22]([C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH3:30])[CH2:19][CH2:20][CH2:21]2)[n:7][c:8]2[n:9][c:10]([Cl:15])[n:11][c:12]([Cl:14])[c:13]12.[CH3:32][C:33]([O-:34])=[O:35].[CH3:36][S:37](=[O:38])[CH3:39].[Na+:31]>>[CH2:1]([C:2]#[C:3][CH3:4])[n:5]1[c:6]([N:16]2[CH2:17][CH:18]([N:22]([C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH3:30])[CH2:19][CH2:20][CH2:21]2)[n:7][c:8]2[n:9][c:10]([Cl:15])[nH:11][c:12](=[O:34])[c:13]12

Participants

5

Reactant 4

HCID 175AcetateHCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 57472748HCID 57472748, compound

Product 1

HCID 136088016HCID 136088016, compound

Sources & evidence

ORD record
ord-83b3e42a700544f5a71bcb7b72645ec5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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