Acetonitrile → HCID 22258168, compound

HRID 123969Notes

Reaction equation

HRID 123969 reaction equation
[CH3:1][c:2]1[nH:3][c:4]2[c:9]([n:10]1)[CH2:8][CH2:7][CH2:6][CH2:5]2.[CH3:41][C:42]#[N:43].[F:11][c:12]1[cH:13][cH:14][c:15]([C:16]([Cl:17])=[O:18])[cH:19][cH:20]1.[F:21][c:22]1[c:23]([C:29]([CH2:30][c:31]2[n:32][c:33]3[c:34]([nH:35]2)[CH2:36][CH2:37][CH2:38][CH2:39]3)=[O:40])[cH:24][cH:25][c:26]([F:28])[cH:27]1>>[cH:22]1[c:23]([C:29]([CH2:30][c:31]2[nH:32][c:33]3[c:34]([n:35]2)[CH2:36][CH2:37][CH2:38][CH2:39]3)=[O:40])[cH:24][cH:25][c:26]([F:28])[cH:27]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 678794-Fluorobenzoyl chlorideHCID 132487922-Methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazoleHCID 22258248HCID 22258248, compound

Product 1

HCID 22258168HCID 22258168, compound

Sources & evidence

ORD record
ord-57dd64dbc37f4119ae8ea59d0a15f949
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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