Hydrochloric Acid → PF 04457845

HRID 684416

Reaction equation

HRID 684416 reaction equation
[CH3:51][C:52]#[N:53].[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[ClH:25].[NH:1]1[CH2:2][CH2:3][C:4](=[CH:7][c:8]2[cH:9][c:10]([O:11][c:12]3[n:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]3)[cH:22][cH:23][cH:24]2)[CH2:5][CH2:6]1.[n:26]1[n:27][c:28]([NH:32][C:33]([O:34][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:35])[cH:29][cH:30][cH:31]1>>[N:1]1([C:33]([NH:32][c:28]2[n:27][n:26][cH:31][cH:30][cH:29]2)=[O:34])[CH2:2][CH2:3][C:4](=[CH:7][c:8]2[cH:9][c:10]([O:11][c:12]3[n:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]3)[cH:22][cH:23][cH:24]2)[CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 20150036HCID 20150036, compoundHCID 668761622-(3-(Piperidin-4-ylidenemethyl)phenoxy)-5-(trifluoromethyl)pyridine

Product 1

HCID 24771824PF 04457845

Sources & evidence

ORD record
ord-04dedd0d79d44b7685536c2a912b19bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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