Trifluoroacetic acid → HCID 75986408, compound

HRID 136153Notes

Reaction equation

HRID 136153 reaction equation
[Br:8][c:9]1[c:10]([F:38])[c:11]([CH:15]2[CH:16]([C:35](=[O:36])[OH:37])[NH:17][CH:18]([CH2:30][C:31]([CH3:32])([CH3:33])[CH3:34])[C:19]23[C:20](=[O:29])[NH:21][c:22]2[cH:23][c:24]([Cl:28])[cH:25][cH:26][c:27]23)[cH:12][cH:13][cH:14]1.[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:63][c:64]1[cH:65][cH:66][c:67]([C:68]#[N:69])[cH:70][cH:71]1.[c:48]1([P:49]([Cl:50])([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)=[O:57])[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[Br:8][c:9]1[c:10]([F:38])[c:11]([CH:15]2[CH:16]([C:35](=[O:37])[NH:63][c:64]3[cH:65][cH:66][c:67]([C:68]#[N:69])[cH:70][cH:71]3)[NH:17][CH:18]([CH2:30][C:31]([CH3:32])([CH3:33])[CH3:34])[C:19]23[C:20](=[O:29])[NH:21][c:22]2[cH:23][c:24]([Cl:28])[cH:25][cH:26][c:27]23)[cH:12][cH:13][cH:14]1

Participants

6

Reactant 5

HCID 6422Trifluoroacetic acidHCID 133964-AminobenzonitrileHCID 73910Diphenylphosphinic chlorideHCID 81531DiisopropylethylamineHCID 76741125HCID 76741125, compound

Product 1

HCID 75986408HCID 75986408, compound

Sources & evidence

ORD record
ord-57a72a3e577f4f77b163511b3c67c8d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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