Dinitrobenzonitrile → HCID 66746863, compound

HRID 676150Notes

Reaction equation

HRID 676150 reaction equation
[N+:23](=[O:24])([O-:25])[c:26]1[c:27]([C:28]#[N:29])[c:30]([N+:34]([O-:35])=[O:36])[cH:31][cH:32][cH:33]1.[OH:1][CH:2]1[CH:3]([O:8][c:9]2[cH:10][c:11]([C:12](=[O:13])[NH:14][CH:15]([CH3:16])[CH3:17])[cH:18][cH:19][c:20]2[O:21][CH3:22])[CH2:4][CH2:5][CH2:6][CH2:7]1>>[O:1]([CH:2]1[CH:3]([O:8][c:9]2[cH:10][c:11]([C:12](=[O:13])[NH:14][CH:15]([CH3:16])[CH3:17])[cH:18][cH:19][c:20]2[O:21][CH3:22])[CH2:4][CH2:5][CH2:6][CH2:7]1)[c:30]1[c:27]([C:28]#[N:29])[c:26]([N+:23](=[O:24])[O-:25])[cH:33][cH:32][cH:31]1

Participants

3

Reactant 2

HCID 520718DinitrobenzonitrileHCID 66747248HCID 66747248, compound

Product 1

HCID 66746863HCID 66746863, compound

Sources & evidence

ORD record
ord-42e002036de34de98bc6e1d05c631fd8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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