Benzonitrile, 4-bromo- → HCID 21270874, compound

HRID 2346935Notes

Reaction equation

HRID 2346935 reaction equation
[Br:24][c:25]1[cH:26][cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32]1.[CH3:45][N:46]1[CH2:47][CH2:48][CH2:49][N:50]([CH3:51])[C:52]1=[O:53].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6](-[c:11]2[n:12][cH:13][c:14]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[cH:15][n:16]2)[cH:7][cH:8][c:9]1[Br:10].[N+:33]([c:34]1[cH:35][c:36]([C:41]#[N:42])[cH:37][cH:38][c:39]1[Br:40])([O-:43])=[O:44]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6](-[c:11]2[n:12][cH:13][c:14]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[cH:15][n:16]2)[cH:7][cH:8][c:9]1[C:29]#[N:30]

Participants

5

Reactant 4

HCID 12162Benzonitrile, 4-bromo-HCID 816462(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-HCID 39268614-Bromo-3-nitrobenzonitrileHCID 21270910HCID 21270910, compound

Product 1

HCID 21270874HCID 21270874, compound

Sources & evidence

ORD record
ord-b12892088f7e4a6a937ce91ff1f66fbb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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