Toluene → N-(5-chloro-2-{3-[4-(4-hydroxypiperidine-1-sulfonyl)-phenyl]-propionyl}-phenyl)-2-oxo-N-phenyl-propionamide

HRID 191907

Reaction equation

HRID 191907 reaction equation
[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl:1][c:2]1[cH:3][c:4]([NH:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:5]([C:8]([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([S:17](=[O:18])(=[O:19])[N:20]3[CH2:21][CH2:22][CH:23]([OH:26])[CH2:24][CH2:25]3)[cH:15][cH:16]2)=[O:27])[cH:6][cH:7]1.[O:35]=[C:36]([C:37](=[O:38])[Cl:39])[CH3:40]>>[Cl:1][c:2]1[cH:3][c:4]([N:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[C:37]([C:36](=[O:35])[CH3:40])=[O:38])[c:5]([C:8]([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([S:17](=[O:18])(=[O:19])[N:20]3[CH2:21][CH2:22][CH:23]([OH:26])[CH2:24][CH2:25]3)[cH:15][cH:16]2)=[O:27])[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 5217912-Oxopropanoyl chlorideHCID 668167811-(4-Chloro-2-phenylamino-phenyl)-3-[4-(4-hydroxypiperidine-1-sulfonyl)-phenyl]propan-1-one

Product 1

HCID 66817005N-(5-chloro-2-{3-[4-(4-hydroxypiperidine-1-sulfonyl)-phenyl]-propionyl}-phenyl)-2-oxo-N-phenyl-propionamide

Sources & evidence

ORD record
ord-c69080ca24fc45da87a9cd26c95152fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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