Chloride → HCID 86743820, compound

HRID 1569999Notes

Reaction equation

HRID 1569999 reaction equation
[CH2:43]1[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1.[CH:18]([Li:19])([CH2:20][CH3:21])[CH3:22].[CH:1]([CH3:2])([CH3:3])[C:4]1([CH3:17])[N:5]=[C:6]([c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[NH:7][C:8]1=[S:9].[Cl-:32].[Cl:23][C:24]([C:25]([Cl:26])([Cl:27])[Cl:28])([Cl:29])[Cl:30].[Na+:31].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH2:49].[S:33](=[O:34])(=[O:35])([OH:36])[OH:37]>>[CH:1]([CH3:2])([CH3:3])[C:4]1([CH3:17])[N:5]=[C:6]([c:10]2[cH:11][c:12]([Cl:23])[c:13]([CH3:16])[cH:14][cH:15]2)[NH:7][C:8]1=[S:9]

Participants

10

Reactant 9

HCID 312ChlorideHCID 923Sodium ionHCID 962WaterHCID 1118Sulfuric AcidHCID 6214HexachloroethaneHCID 8028TetrahydrofuranHCID 8078CyclohexaneHCID 15017266HCID 15017266, compoundHCID 178418400CID 53628100

Product 1

HCID 86743820HCID 86743820, compound

Sources & evidence

ORD record
ord-99a38e701ffc44acbd87ee62dc52c159
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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