Chloride → HCID 20278419, compound

HRID 137165Notes

Reaction equation

HRID 137165 reaction equation
[C:1]([CH3:2])(=[O:3])[CH:4]([C:5]([O:6][CH3:7])=[O:8])[C:9]([CH:10]([CH3:11])[O:12][c:13]1[cH:14][cH:15][c:16]([O:19][c:20]2[n:21][c:22]3[cH:23][c:24]([Cl:31])[c:25]([Cl:30])[cH:26][c:27]3[n:28][cH:29]2)[cH:17][cH:18]1)=[O:32].[CH3:60][CH2:61][C:62](=[O:63])[CH2:64][C:65]([O-:66])=[O:67].[CH3:70][S:71]([CH3:72])=[O:73].[Cl-:33].[Cl-:69].[Cl:34][c:35]1[cH:36][c:37]2[c:38]([cH:39][c:40]1[Cl:41])[n:42][c:43]([O:44][c:45]1[cH:46][cH:47][c:48]([O:49][CH:50]([CH3:51])[C:52]([OH:53])=[O:54])[cH:55][cH:56]1)[cH:57][n:58]2.[Na+:68].[Na:59]>>[C:1]([CH3:2])(=[O:3])[CH2:4][C:9]([CH:10]([CH3:11])[O:12][c:13]1[cH:14][cH:15][c:16]([O:19][c:20]2[n:21][c:22]3[cH:23][c:24]([Cl:31])[c:25]([Cl:30])[cH:26][c:27]3[n:28][cH:29]2)[cH:17][cH:18]1)=[O:32]

Participants

8

Reactant 7

HCID 312Chloride2×HCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 5360545SodiumHCID 12807674HCID 12807674, compoundHCID 167221203-OxopentanoateHCID 20278420HCID 20278420, compound

Product 1

HCID 20278419HCID 20278419, compound

Sources & evidence

ORD record
ord-2af0553bd6d04f1a92567817a650aea9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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