Toluene → 1-{3-Dimethylcarbamoyl-4-[(4'-trifluoromethylbiphenyl-2-carbonyl)amino]phenyl}piperidine-4-carboxylic acid ethyl ester

HRID 2138495Notes

Reaction equation

HRID 2138495 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][CH2:8][N:9]([c:12]2[cH:13][c:14]([C:19]([N:20]([CH3:21])[CH3:22])=[O:23])[c:15]([NH2:18])[cH:16][cH:17]2)[CH2:10][CH2:11]1.[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[F:31][C:32]([c:33]1[cH:34][cH:35][c:36](-[c:39]2[c:40]([C:45](=[O:46])[Cl:47])[cH:41][cH:42][cH:43][cH:44]2)[cH:37][cH:38]1)([F:48])[F:49]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][CH2:8][N:9]([c:12]2[cH:13][c:14]([C:19]([N:20]([CH3:21])[CH3:22])=[O:23])[c:15]([NH:18][C:45]([c:40]3[c:39](-[c:36]4[cH:35][cH:34][c:33]([C:32]([F:31])([F:48])[F:49])[cH:38][cH:37]4)[cH:44][cH:43][cH:42][cH:41]3)=[O:46])[cH:16][cH:17]2)[CH2:10][CH2:11]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 8471TriethylamineHCID 110660004'-(Trifluoromethyl)-[1,1'-biphenyl]-2-carbonyl chlorideHCID 666769441-(4-Amino-3-dimethylcarbamoylphenyl)piperidine-4-carboxylic acid ethyl ester

Product 1

HCID 666770971-{3-Dimethylcarbamoyl-4-[(4'-trifluoromethylbiphenyl-2-carbonyl)amino]phenyl}piperidine-4-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-ac09906c3f6d423c858ffabcea1eb793
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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