Ammonia → Lofexidine

HRID 211907Notes

Reaction equation

HRID 211907 reaction equation
[CH2:1]([O:2][C:4](=[O:3])[CH:5]([CH3:6])[O:7][c:8]1[c:9]([Cl:15])[cH:10][cH:11][cH:12][c:13]1[Cl:14])[CH3:16].[CH3:32][N:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[CH3:44][CH2:45][OH:46].[CH:47]([Cl:48])([Cl:49])[Cl:50].[Cl-:56].[Cl-:57].[Cl-:58].[Cl-:59].[Cl:18][c:19]1[cH:20][cH:21][cH:22][c:23]([Cl:24])[c:25]1[O:26][CH:27]([CH3:28])[C:29]([NH2:30])=[O:31].[ClH:39].[NH2:40][CH2:41][CH2:42][NH2:43].[NH3:17].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[Ti+4:60]>>[C:4]1([CH:5]([CH3:6])[O:7][c:8]2[c:9]([Cl:15])[cH:10][cH:11][cH:12][c:13]2[Cl:14])=[N:43][CH2:42][CH2:41][NH:40]1

Participants

12

Reactant 11

HCID 222AmmoniaHCID 312Chloride4×HCID 313Hydrochloric AcidHCID 702EthanolHCID 3301EthylenediamineHCID 6212ChloroformHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 114942Titanium cation (4+)HCID 13177850Ethyl 2-(2,6-dichlorophenoxy)propanoateHCID 131778592-(2,6-Dichlorophenoxy)propanamide

Product 1

HCID 30668Lofexidine

Sources & evidence

ORD record
ord-bed409b366e0437a8ac7eccfbaf8fd26
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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