Hydrochloric Acid → Edonerpic

HRID 1143594Notes

Reaction equation

HRID 1143594 reaction equation
[CH3:26][S:27](=[O:28])[CH3:29].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[Cl:1][CH2:2][CH2:3][CH2:4][O:5][CH2:6][CH2:7][c:8]1[cH:9][cH:10][c:11]2[c:12]([cH:13][cH:14][s:15]2)[cH:16]1.[ClH:17].[ClH:25].[NH:18]1[CH2:19][CH:20]([OH:22])[CH2:21]1.[Na+:24].[OH-:23].[OH2:36]>>[CH2:2]([CH2:3][CH2:4][O:5][CH2:6][CH2:7][c:8]1[cH:9][cH:10][c:11]2[c:12]([cH:13][cH:14][s:15]2)[cH:16]1)[N:18]1[CH2:19][CH:20]([OH:22])[CH2:21]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 15142903-HydroxyazetidineHCID 219900695-[2-(3-Chloropropyloxy)ethyl]benzo[b]thiophene

Product 1

HCID 9901946Edonerpic

Sources & evidence

ORD record
ord-47ca44b9917845789d096a96346856d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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