Water → Tert-butyl 4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-(3,4-dichlorophenyl)piperidine-1-carboxylate

HRID 301324

Reaction equation

HRID 301324 reaction equation
[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:48][C:49]#[N:50].[F:30][C:31]([c:32]1[cH:33][c:34]([C:35](=[O:36])[Cl:37])[cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1)([F:45])[F:46].[NH2:1][CH:2]1[CH:3]([c:15]2[cH:16][c:17]([Cl:22])[c:18]([Cl:21])[cH:19][cH:20]2)[CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1.[OH2:47]>>[NH:1]([CH:2]1[CH:3]([c:15]2[cH:16][c:17]([Cl:22])[c:18]([Cl:21])[cH:19][cH:20]2)[CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1)[C:35]([c:34]1[cH:33][c:32]([C:31]([F:30])([F:45])[F:46])[cH:40][c:39]([C:41]([F:42])([F:43])[F:44])[cH:38]1)=[O:36]

Participants

6

Reactant 5

HCID 962WaterHCID 6342AcetonitrileHCID 8471TriethylamineHCID 1018563,5-Bis(trifluoromethyl)benzoyl chlorideHCID 688715774-Amino-3-(3,4-dichlorophenyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester

Product 1

HCID 57741720Tert-butyl 4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-(3,4-dichlorophenyl)piperidine-1-carboxylate

Sources & evidence

ORD record
ord-5d17358602d8485786292368e2eb4442
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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