Dichloromethane → Trifluoroacetic acid

HRID 86987Notes

Reaction equation

HRID 86987 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:31][CH:32]2[CH2:33][CH2:34][N:35]([C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH2:36][CH2:37]2)[c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([C:14](=[O:15])[NH:16][c:17]3[n:18][cH:19][c:20]([F:23])[cH:21][cH:22]3)[cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[cH:29][cH:30]1.[CH3:45][O:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Cl:60][CH2:61][Cl:62].[F:53][C:54]([C:55](=[O:56])[OH:57])([F:58])[F:59]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:31][CH:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([C:14](=[O:15])[NH:16][c:17]3[n:18][cH:19][c:20]([F:23])[cH:21][cH:22]3)[cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[cH:29][cH:30]1.[F:53][C:54]([C:55](=[O:56])[OH:57])([F:58])[F:59]

Participants

6

Reactant 4

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 68535163HCID 68535163, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 578609134-tert-butyl-N-[4-chloro-2-[(5-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-4-yloxybenzamide

Sources & evidence

ORD record
ord-fb94de849fe84a05b266db676f43b9a5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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