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Ammonium → Methyl 5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-ylsulphonyl)penta-2,4-diynoate

HRID 287950
Notes
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Reaction equation

HRID 287950 reaction equation
[Br:4][C:5]#[C:6][C:7](=[O:8])[O:9][CH3:10].[C:14](#[CH:15])[S:16](=[O:17])(=[O:18])[c:19]1[cH:20][c:21]2[c:26]([cH:27][c:28]1[CH3:29])[C:25]([CH3:30])([CH3:31])[CH2:24][CH2:23][C:22]2([CH3:32])[CH3:33].[CH3:1][CH2:2][NH2:3].[CH3:37][OH:38].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[Cl-:34].[Cl:39][Cu:40].[ClH:11].[NH2:12][OH:13].[NH4+:35].[OH2:36]>>[C:5](#[C:6][C:7](=[O:8])[O:9][CH3:10])[C:15]#[C:14][S:16](=[O:17])(=[O:18])[c:19]1[cH:20][c:21]2[c:26]([cH:27][c:28]1[CH3:29])[C:25]([CH3:30])([CH3:31])[CH2:24][CH2:23][C:22]2([CH3:32])[CH3:33]
ParticipantsSources & evidenceReaction notes

Participants

12

Reactant 11

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric AcidHCID 787HydroxylamineHCID 887MethanolHCID 962WaterHCID 6341EthylamineHCID 8857Ethyl Acetate
HCID 62652Cuprous chloride
HCID 294619Methyl 3-bromoprop-2-ynoate
HCID 223478256-Ethynylsulphonyl-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene

Product 1

HCID 22347861Methyl 5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-ylsulphonyl)penta-2,4-diynoate

Sources & evidence

ORD record
ord-1a2428e647544f9dbc24c84c6b72c81d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes