Toluene → N-(5-chloro-2-{3-[4-(2-hydroxy-2-methylpropylsulfamoyl)-phenyl]-propionyl}-phenyl)-2-oxo-N-phenyl-propionamide

HRID 2140708Notes

Reaction equation

HRID 2140708 reaction equation
[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Cl:1][c:2]1[cH:3][c:4]([NH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:5]([C:8]([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([S:17](=[O:18])(=[O:19])[NH:20][CH2:21][C:22]([CH3:23])([CH3:24])[OH:25])[cH:15][cH:16]2)=[O:26])[cH:6][cH:7]1.[O:34]=[C:35]([C:36](=[O:37])[Cl:38])[CH3:39]>>[Cl:1][c:2]1[cH:3][c:4]([N:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[C:36]([C:35](=[O:34])[CH3:39])=[O:37])[c:5]([C:8]([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([S:17](=[O:18])(=[O:19])[NH:20][CH2:21][C:22]([CH3:23])([CH3:24])[OH:25])[cH:15][cH:16]2)=[O:26])[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 5217912-Oxopropanoyl chlorideHCID 598461744-[3-(4-chloro-2-phenylaminophenyl)-3-oxo-propyl]-N-(2-hydroxy-2-methylpropyl)-benzenesulfonamide

Product 1

HCID 59846199N-(5-chloro-2-{3-[4-(2-hydroxy-2-methylpropylsulfamoyl)-phenyl]-propionyl}-phenyl)-2-oxo-N-phenyl-propionamide

Sources & evidence

ORD record
ord-fa810f8baa694b6ab0b0e62910ed2708
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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