Ammonium → Dopamantine

HRID 1126525Notes

Reaction equation

HRID 1126525 reaction equation
[C:14]12([C:24](=[O:25])[OH:26])[CH2:15][CH:16]3[CH2:17][CH:18]([CH2:19][CH:20]([CH2:21]1)[CH2:22]3)[CH2:23]2.[CH3:31][OH:32].[Cl-:13].[ClH:1].[ClH:29].[NH2:2][CH2:3][CH2:4][c:5]1[cH:6][c:7]([OH:8])[c:9]([OH:10])[cH:11][cH:12]1.[NH4+:27].[OH-:28].[OH2:30].[cH:33]1[cH:34][cH:35][n:36][cH:37][cH:38]1>>[NH:2]([CH2:3][CH2:4][c:5]1[cH:6][c:7]([OH:8])[c:9]([OH:10])[cH:11][cH:12]1)[C:24]([C:14]12[CH2:15][CH:16]3[CH2:17][CH:18]([CH2:19][CH:20]([CH2:21]1)[CH2:22]3)[CH2:23]2)=[O:25]

Participants

10

Reactant 9

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric Acid2×HCID 681DopamineHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 1049PyridineHCID 132351-Adamantanecarboxylic acid

Product 1

HCID 38361Dopamantine

Sources & evidence

ORD record
ord-be49d9b887634ee98171a3366de719bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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