1,2-Dichloroethane → 3-[(2-Azido-4-methyl-cyclohexanecarbonyl)-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester

HRID 809145Notes

Reaction equation

HRID 809145 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:8][c:9]1[NH:10][CH:11]([CH3:12])[CH3:13].[CH3:35][CH:36]1[CH2:37][CH2:38][C:39]([C:40]([OH:41])=[O:42])=[CH:43][CH2:44]1.[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cl-:20].[Cl-:34].[Cl:50][CH2:51][CH2:52][Cl:53].[N:21](=[N+:22]=[N-:23])[CH:24]1[CH:25]([C:31](=[O:32])[OH:33])[CH2:26][CH2:27][CH:28]([CH3:30])[CH2:29]1.[Na+:49].[O-:45][C:46]([OH:47])=[O:48]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:8][c:9]1[N:10]([CH:11]([CH3:12])[CH3:13])[C:31]([CH:25]1[CH:24]([N:21]=[N+:22]=[N-:23])[CH2:29][CH:28]([CH3:30])[CH2:27][CH2:26]1)=[O:32]

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 312Chloride2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 2193894-Methylcyclohex-1-ene-1-carboxylic acidHCID 11737447Methyl 3-(isopropyl-amino)-5-phenylthiophene-2-carboxylateHCID 597523762-Azido-4-methylcyclohexane-1-carboxylic acid

Product 1

HCID 597523943-[(2-Azido-4-methyl-cyclohexanecarbonyl)-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-bc1a1d8603ec4a8d96567430cb526ec1
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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