Chloride → Lofexidine

HRID 1228720Notes

Reaction equation

HRID 1228720 reaction equation
[CH2:18]([OH:19])[CH3:20].[CH3:30][N:31]([CH3:32])[c:33]1[cH:34][cH:35][n:36][cH:37][cH:38]1.[CH:21]([Cl:22])([Cl:23])[Cl:24].[Cl-:39].[Cl-:40].[Cl-:41].[Cl-:42].[NH2:1][CH2:2][CH2:3][NH:4][C:5]([CH:6]([CH3:7])[O:8][c:9]1[c:10]([Cl:16])[cH:11][cH:12][cH:13][c:14]1[Cl:15])=[O:17].[O:25]1[CH2:26][CH2:27][CH2:28][CH2:29]1.[Ti+4:43]>>[N:1]1=[C:5]([CH:6]([CH3:7])[O:8][c:9]2[c:10]([Cl:16])[cH:11][cH:12][cH:13][c:14]2[Cl:15])[NH:4][CH2:3][CH2:2]1

Participants

8

Reactant 7

HCID 312Chloride4×HCID 702EthanolHCID 6212ChloroformHCID 8028TetrahydrofuranHCID 142844-(Dimethylamino)pyridineHCID 114942Titanium cation (4+)HCID 13177851N-(2-Aminoethyl)-2-(2,6-dichlorophenoxy)propanamide

Product 1

HCID 30668Lofexidine

Sources & evidence

ORD record
ord-10996c4129f94c13aee8eaabed43174c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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