Acetonitrile → HCID 11177225, compound

HRID 176446

Reaction equation

HRID 176446 reaction equation
[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:46][C:47]#[N:48].[CH:8]12[N:9]([c:15]3[cH:16][c:17]4[n:18]([c:19]([NH2:21])[n:20]3)[n:22][c:23](-[c:25]3[o:26][cH:27][cH:28][cH:29]3)[n:24]4)[CH2:10][CH:11]([NH:12][CH2:13]1)[CH2:14]2.[Cl:30][CH2:31][c:32]1[c:33]([CH3:38])[n:34][o:35][c:36]1[CH3:37].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[CH:8]12[N:9]([c:15]3[cH:16][c:17]4[n:18]([c:19]([NH2:21])[n:20]3)[n:22][c:23](-[c:25]3[o:26][cH:27][cH:28][cH:29]3)[n:24]4)[CH2:10][CH:11]([N:12]([CH2:31][c:32]3[c:33]([CH3:38])[n:34][o:35][c:36]3[CH3:37])[CH2:13]1)[CH2:14]2

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 88246Isoxazole, 4-(chloromethyl)-3,5-dimethyl-HCID 686862367-(2,5-Diaza-bicyclo[2.2.1]hept-2-yl)-2-furan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine

Product 1

HCID 11177225HCID 11177225, compound

Sources & evidence

ORD record
ord-d9ea05c442c949f2bdd6feace5358514
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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