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

HRID 2157135Notes

Reaction equation

HRID 2157135 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:14]2[cH:15][c:16]([F:20])[cH:17][cH:18][cH:19]2)[cH:8][c:9]1[NH:10][CH:11]([CH3:12])[CH3:13].[CH:60]([Cl:61])([Cl:62])[Cl:63].[Cl:21][C:22](=[O:23])[CH:24]1[CH:25]([O:31][C:32]([CH3:33])=[O:34])[CH2:26][CH:27]([CH3:30])[CH2:28][CH2:29]1.[Cl:56][CH2:57][CH2:58][Cl:59].[N:54]#[N:55].[OH2:64].[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:14]2[cH:15][c:16]([F:20])[cH:17][cH:18][cH:19]2)[cH:8][c:9]1[N:10]([CH:11]([CH3:12])[CH3:13])[C:22](=[O:23])[CH:24]1[CH:25]([O:31][C:32]([CH3:33])=[O:34])[CH2:26][CH:27]([CH3:30])[CH2:28][CH2:29]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 947NitrogenHCID 962WaterHCID 6212ChloroformHCID 11776TriphenylphosphineHCID 597523715-(3-Fluoro-phenyl)-3-isopropylamino-thiophene-2-carboxylic acid methyl esterHCID 597523912-Acetoxy-4-methyl-cyclohexanecarboxylic acid chloride

Product 1

HCID 597523393-[(2-Acetoxy-4-methyl-cyclohexanecarbonyl)-isopropyl-amino]-5-(3-fluoro-phenyl)-thiophene-2-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-4a87add816074d64be45c03f3a474ddc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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