Toluene → HCID 178468067, compound

HRID 300037Notes

Reaction equation

HRID 300037 reaction equation
[C:1]([CH2:2][C:3](=[O:4])[CH3:5])([O:7][C:6]([CH3:8])([CH3:9])[CH3:10])=[O:11].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[NH2:12][c:13]1[n:14][c:15]([CH:19]([O:20][SiH:21]([CH3:22])[CH3:23])[C:24]([CH3:25])([CH3:26])[CH3:27])[cH:16][cH:17][cH:18]1>>[C:1]([CH2:2][C:3](=[O:4])[CH3:5])(=[O:7])[NH:12][c:13]1[n:14][c:15]([CH:19]([O:20][SiH:21]([CH3:22])[CH3:23])[C:24]([CH3:25])([CH3:26])[CH3:27])[cH:16][cH:17][cH:18]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 15538Tert-butyl acetoacetateHCID 178504474HCID 178504474, compound

Product 1

HCID 178468067HCID 178468067, compound

Sources & evidence

ORD record
ord-56e9df81fc8745139487b25c35643418
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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