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Ammonium → Methyl 3-(4-aminophenyl)-2-[[1-(4-methylsulfonylbutyl)cyclopentanecarbothioyl]amino]propanoate

HRID 141688
Notes
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Reaction equation

HRID 141688 reaction equation
[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6](=[S:7])[C:8]1([CH2:13][CH2:14][CH2:15][CH2:16][S:17](=[O:18])(=[O:19])[CH3:20])[CH2:9][CH2:10][CH2:11][CH2:12]1)[CH2:21][c:22]1[cH:23][cH:24][c:25]([N+:28]([O-:29])=[O:30])[cH:26][cH:27]1)=[O:31].[CH3:40][OH:41].[Cl-:37].[NH4+:38].[OH2:39].[Zn:42]>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6](=[S:7])[C:8]1([CH2:13][CH2:14][CH2:15][CH2:16][S:17](=[O:18])(=[O:19])[CH3:20])[CH2:9][CH2:10][CH2:11][CH2:12]1)[CH2:21][c:22]1[cH:23][cH:24][c:25]([NH2:28])[cH:26][cH:27]1)=[O:31]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 962WaterHCID 8028TetrahydrofuranHCID 23994ZincHCID 18405991Methyl 2-[[1-(4-methylsulfonylbutyl)cyclopentanecarbothioyl]amino]-3-(4-nitrophenyl)propanoate

Product 1

HCID 18405988Methyl 3-(4-aminophenyl)-2-[[1-(4-methylsulfonylbutyl)cyclopentanecarbothioyl]amino]propanoate

Sources & evidence

ORD record
ord-691bccfd78da4c91b72f1d83b58cc6ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes