Hydrochloric Acid → (4,4-Difluoro-azepan-1-yl)-(5-phenyl-thiophen-3-yl)-methanone

HRID 292625Notes

Reaction equation

HRID 292625 reaction equation
[CH2:25]([NH:26][CH2:27][CH3:28])[CH3:29].[CH3:54][C:55]#[N:56].[ClH:15].[F:16][C:17]1([F:24])[CH2:18][CH2:19][NH:20][CH2:21][CH2:22][CH2:23]1.[P-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36].[c:1]1(-[c:7]2[cH:8][c:9]([C:12](=[O:13])[OH:14])[cH:10][s:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:37]1([O:38][C:39]([N:40]([CH3:41])[CH3:42])=[N+:43]([CH3:44])[CH3:45])[c:46]2[n:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[c:1]1(-[c:7]2[cH:8][c:9]([C:12](=[O:14])[N:20]3[CH2:19][CH2:18][C:17]([F:16])([F:24])[CH2:23][CH2:22][CH2:21]3)[cH:10][s:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8021DiethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 162272215-Phenylthiophene-3-carboxylic acidHCID 533934824,4-Difluoroazepane

Product 1

HCID 44226682(4,4-Difluoro-azepan-1-yl)-(5-phenyl-thiophen-3-yl)-methanone

Sources & evidence

ORD record
ord-fad7411bdd024355ac9301703202bf3e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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