Acetic Acid → 2-Acetyl-8-chlorosulfonyl-7-chloro-1,2,3,4-tetrahydroisoquinoline

HRID 203727

Reaction equation

HRID 203727 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][c:6]2[c:7]([NH2:15])[c:8]([Cl:14])[cH:9][cH:10][c:11]2[CH2:12][CH2:13]1.[CH3:34][C:35](=[O:36])[OH:37].[Cl-:23].[Cl-:25].[Cl-:31].[ClH:32].[Mg+2:24].[N:16]([O-:17])=[O:18].[N:20]([OH:21])=[O:22].[Na+:19].[O:26]=[S:27]=[O:28].[OH2:29].[OH2:30].[OH2:33]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][c:6]2[c:7]([S:27]([Cl:23])(=[O:26])=[O:28])[c:8]([Cl:14])[cH:9][cH:10][c:11]2[CH2:12][CH2:13]1

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 312Chloride3×HCID 313Hydrochloric AcidHCID 888Magnesium CationHCID 923Sodium ionHCID 946NitriteHCID 962Water3×HCID 1119Sulfur DioxideHCID 24529Nitrous AcidHCID 205232142-Acetyl-8-amino-7-chloro-1,2,3,4-tetrahydroisoquinoline

Product 1

HCID 128380412-Acetyl-8-chlorosulfonyl-7-chloro-1,2,3,4-tetrahydroisoquinoline

Sources & evidence

ORD record
ord-12a5284c3f004a538b9b53cde3868947
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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