Acetonitrile → HCID 178488181, compound

HRID 669221Notes

Reaction equation

HRID 669221 reaction equation
[CH3:14][O:15][c:16]1[cH:17][c:18](-[c:25]2[nH:26][c:27]([CH2:30][C:31](=[O:32])[O-:33])[n:28][n:29]2)[cH:19][cH:20][c:21]1[N+:22]([O-:23])=[O:24].[CH3:34][C:35]#[N:36].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[N:6]=[C:7]=[O:8])[cH:9][cH:10][c:11]([F:13])[cH:12]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][C:7](=[O:8])[NH:22][c:21]2[c:16]([O:15][CH3:14])[cH:17][c:18](-[c:25]3[nH:26][c:27]([CH2:30][C:31](=[O:32])[OH:33])[n:28][n:29]3)[cH:19][cH:20]2)[cH:9][cH:10][c:11]([F:13])[cH:12]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 11521269Benzoyl isocyanate, 2-chloro-4-fluoro-HCID 178488182HCID 178488182, compound

Product 1

HCID 178488181HCID 178488181, compound

Sources & evidence

ORD record
ord-2eb3779d31934d4ba981f4896b1823b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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