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Ammonium → 2-[4-[5-(Cyclopropyl-methyl-amino)-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl]-phenyl}-propionic acid

HRID 2150728
Notes
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Reaction equation

HRID 2150728 reaction equation
[CH3:1][O:2][C:3]([CH:4]([CH3:5])[c:6]1[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][c:16]3[c:21]([cH:22][cH:23]2)[CH:20]([N:24]([CH3:25])[CH:26]2[CH2:27][CH2:28]2)[CH2:19][CH2:18][C:17]3([CH3:29])[CH3:30])[cH:10][cH:11]1)=[O:31].[CH3:36][OH:37].[Cl-:34].[NH4+:35].[Na+:33].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH-:32]>>[O:2]=[C:3]([CH:4]([CH3:5])[c:6]1[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][c:16]3[c:21]([cH:22][cH:23]2)[CH:20]([N:24]([CH3:25])[CH:26]2[CH2:27][CH2:28]2)[CH2:19][CH2:18][C:17]3([CH3:29])[CH3:30])[cH:10][cH:11]1)[OH:31]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 690758892-{4-[5-(Cyclopropyl-methyl-amino)-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl]-phenyl}-propionic acid methyl ester

Product 1

HCID 211071302-[4-[5-(Cyclopropyl-methyl-amino)-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl]-phenyl}-propionic acid

Sources & evidence

ORD record
ord-3442240890204343aeabf03a8050cefb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes