Benzene → HCID 21530310, compound

HRID 150027

Reaction equation

HRID 150027 reaction equation
[CH3:13][N:14]=[C:15]=[O:16].[CH3:1][C:2]1([CH3:12])[NH:3][C:4]([CH3:10])([CH3:11])[CH2:5][C:6](=[O:9])[NH:7][CH2:8]1.[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[N:23]12[CH2:24][CH2:25][N:26]([CH2:27][CH2:28]1)[CH2:29][CH2:30]2.[cH:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[CH3:1][C:2]1([CH3:12])[NH:3][C:4]([CH3:10])([CH3:11])[CH2:5][C:6](=[O:9])[N:7]([C:15]([NH:14][CH3:13])=[O:16])[CH2:8]1

Participants

6

Reactant 5

HCID 241BenzeneHCID 8857Ethyl AcetateHCID 9237DabcoHCID 12228Methyl IsocyanateHCID 5469102,2,7,7-Tetramethyl-1,4-diazepan-5-one

Product 1

HCID 21530310HCID 21530310, compound

Sources & evidence

ORD record
ord-db52d73cf6c84e3c9ec65d0693eb759c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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