Benzene → HCID 135583860, compound

HRID 692799Notes

Reaction equation

HRID 692799 reaction equation
[Br:27][N:28]1[C:29](=[O:30])[CH2:31][CH2:32][C:33]1=[O:34].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[n:9][c:10]2[c:15]([cH:16]1)[CH:14]([c:17]1[c:18]([Cl:23])[cH:19][cH:20][cH:21][cH:22]1)[C:13]([C:24]#[N:25])=[C:12]([CH3:26])[NH:11]2.[N:35]#[C:36][C:37]([N:38]=[N:39][C:40]([C:41]#[N:42])([CH3:43])[CH3:44])([CH3:45])[CH3:46].[cH:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[n:9][c:10]2[c:15]([cH:16]1)[CH:14]([c:17]1[c:18]([Cl:23])[cH:19][cH:20][cH:21][cH:22]1)[C:13]([C:24]#[N:25])=[C:12]([CH2:26][Br:27])[NH:11]2

Participants

5

Reactant 4

HCID 241BenzeneHCID 6547AzobisisobutyronitrileHCID 67184N-bromobutanimideHCID 135584021HCID 135584021, compound

Product 1

HCID 135583860HCID 135583860, compound

Sources & evidence

ORD record
ord-f8d63655b2a14b87a824031a9e1d0965
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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