Acetic Acid → (4-Benzyl-3-n-butoxy-5-sulfamylbenzyl)dimethylamine

HRID 300042Notes

Reaction equation

HRID 300042 reaction equation
[CH3:36][C:37](=[O:38])[OH:39].[Cl-:31].[ClH:24].[N:25]([O-:26])=[O:27].[NH2:1][c:2]1[c:3]([CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:4]([O:12][CH2:13][CH2:14][CH2:15][CH3:16])[cH:5][c:6]([CH2:7][N:8]([CH3:9])[CH3:10])[cH:11]1.[Na+:28].[O:32]=[S:33]=[O:34].[OH2:29].[OH2:30].[OH2:35]>>[c:2]1([S:33]([NH2:25])(=[O:32])=[O:34])[c:3]([CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:4]([O:12][CH2:13][CH2:14][CH2:15][CH3:16])[cH:5][c:6]([CH2:7][N:8]([CH3:9])[CH3:10])[cH:11]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 946NitriteHCID 962Water3×HCID 1119Sulfur DioxideHCID 20294557(5-Amino-4-benzyl-3-n-butoxybenzyl)dimethylamine

Product 1

HCID 54147820(4-Benzyl-3-n-butoxy-5-sulfamylbenzyl)dimethylamine

Sources & evidence

ORD record
ord-b088449eb24b4c7799721b9334c814bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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