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Ammonium → Ethyl 4-[N-cyclopropylmethyl-(6a-methyl-5,6,6a,7,8,9-hexahydro-4H-2-phenalenyl)amino]benzoate

HRID 1201648
Notes
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Reaction equation

HRID 1201648 reaction equation
[Br:29][CH2:30][CH:31]1[CH2:32][CH2:33]1.[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[CH3:3][C:4]12[CH2:5][CH2:6][CH2:7][c:8]3[cH:9][c:10]([NH:17][c:18]4[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:27][cH:28]4)[cH:11][c:12]([c:16]31)[CH2:13][CH2:14][CH2:15]2.[Cl-:34].[H-:1].[NH4+:35].[Na+:2]>>[CH3:3][C:4]12[CH2:5][CH2:6][CH2:7][c:8]3[cH:9][c:10]([N:17]([c:18]4[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:27][cH:28]4)[CH2:30][CH:31]4[CH2:32][CH2:33]4)[cH:11][c:12]([c:16]31)[CH2:13][CH2:14][CH2:15]2
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium IonHCID 6228DimethylformamideHCID 81503BromomethylcyclopropaneHCID 166653HydrideHCID 25190221Ethyl 4-[(6a-methyl-5,6,6a,7,8,9-hexahydro-4H-2-phenalenyl)amino]benzoate

Product 1

HCID 25190163Ethyl 4-[N-cyclopropylmethyl-(6a-methyl-5,6,6a,7,8,9-hexahydro-4H-2-phenalenyl)amino]benzoate

Sources & evidence

ORD record
ord-7c10dc647ddf4e4697e7efe39751b53b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes