p-Toluenesulfonic acid → HCID 89176296, compound

HRID 2317387Notes

Reaction equation

HRID 2317387 reaction equation
[F:32][C:33]([c:34]1[cH:35][c:36]([C:37](=[O:38])[OH:39])[cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1)([F:47])[F:48].[NH2:12][CH:13]1[CH:14]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[NH:12]([CH:13]1[CH:14]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]1)[C:37]([c:36]1[cH:35][c:34]([C:33]([F:32])([F:47])[F:48])[cH:42][c:41]([C:43]([F:44])([F:45])[F:46])[cH:40]1)=[O:38]

Participants

4

Reactant 3

HCID 6101p-Toluenesulfonic acidHCID 128893,5-Bis(trifluoromethyl)benzoic acidHCID 23080131tert-Butyl 4-amino-3-phenylpiperidine-1-carboxylate

Product 1

HCID 89176296HCID 89176296, compound

Sources & evidence

ORD record
ord-7c4ef78f11fd4d7a8e6e4ee79cee3e4a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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