Benzene → 3-n-Butyl-5-(4-cyanobenzyl) hydantoin

HRID 1565524Notes

Reaction equation

HRID 1565524 reaction equation
[CH2:21]([CH2:22][CH2:23][CH3:24])[N:25]1[C:26](=[O:40])[NH:27][CH:28]([CH2:31][c:32]2[cH:33][cH:34][c:35]([CH:38]=[O:39])[cH:36][cH:37]2)[C:29]1=[O:30].[F:1][C:2]([F:3])([F:4])[C:6]([NH:5][O:7][C:8](=[O:9])[C:10]([F:11])([F:12])[F:13])=[O:14].[cH:15]1[cH:16][cH:17][n:18][cH:19][cH:20]1.[cH:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[N:5]#[C:38][c:35]1[cH:34][cH:33][c:32]([CH2:31][CH:28]2[NH:27][C:26](=[O:40])[N:25]([CH2:21][CH2:22][CH2:23][CH3:24])[C:29]2=[O:30])[cH:37][cH:36]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 1049PyridineHCID 69634(2,2,2-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetateHCID 127907213-n-Butyl-5-(4-formylbenzyl) hydantoin

Product 1

HCID 127907633-n-Butyl-5-(4-cyanobenzyl) hydantoin

Sources & evidence

ORD record
ord-d443a07306544d4aba0e0142abc2aac1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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