Acetonitrile → HCID 178439152, compound

HRID 1536193Notes

Reaction equation

HRID 1536193 reaction equation
[CH3:33][C:34]#[N:35].[Cl:1][CH2:2][C:3](=[O:4])[N:5]1[CH:6]([C:13]#[N:14])[CH2:7][CH2:8][CH:9]1[C:10]#[C:11][CH3:12].[F:15][C:16]([c:17]1[cH:18][cH:19][c:20]([O:21][CH:22]2[CH2:23][CH2:24][CH:25]([NH2:28])[CH2:26][CH2:27]2)[cH:29][cH:30]1)([F:31])[F:32]>>[CH2:2]([C:3](=[O:4])[N:5]1[CH:6]([C:13]#[N:14])[CH2:7][CH2:8][CH:9]1[C:10]#[C:11][CH3:12])[NH:28][CH:25]1[CH2:24][CH2:23][CH:22]([O:21][c:20]2[cH:19][cH:18][c:17]([C:16]([F:15])([F:31])[F:32])[cH:30][cH:29]2)[CH2:27][CH2:26]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 18460866HCID 18460866, compoundHCID 69701652HCID 69701652, compound

Product 1

HCID 178439152HCID 178439152, compound

Sources & evidence

ORD record
ord-8687801961d94ee79f991a4a0aaecb8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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