Acetonitrile → HCID 178470605, compound

HRID 2150345Notes

Reaction equation

HRID 2150345 reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][O:44][CH2:45]1.[CH3:37][C:38]#[N:39].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1.[F:10][C:11]([F:12])([F:13])[C:14]([OH:15])=[O:16].[NH2:17][CH2:18][CH2:19][CH2:20][O:21][c:22]1[cH:23][c:24]2[c:28]([cH:29][cH:30]1)[CH:27]([CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[CH2:26][CH2:25]2>>[c:2]1([NH:17][CH2:18][CH2:19][CH2:20][O:21][c:22]2[cH:23][c:24]3[c:28]([cH:29][cH:30]2)[CH:27]([CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[CH2:26][CH2:25]3)[n:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 312751,4-DioxaneHCID 51520946-Chloro-3-pyridinecarbonitrileHCID 178470623HCID 178470623, compound

Product 1

HCID 178470605HCID 178470605, compound

Sources & evidence

ORD record
ord-547ea263c9674835b22cdd219f49bccd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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