Acetate → Ranisen

HRID 2330012Notes

Reaction equation

HRID 2330012 reaction equation
[CH2:29]([C:30]([CH3:31])=[O:32])[CH:33]([CH3:34])[CH3:35].[CH3:10][NH2:11].[CH3:13][N:14]([CH3:15])[CH2:16][c:17]1[cH:18][cH:19][c:20]([CH2:22][Cl:23])[o:21]1.[CH3:25][C:26](=[O:27])[O-:28].[CH3:36][C:37]#[N:38].[ClH:12].[N+:1](=[O:2])([O-:3])[CH:4]=[C:5]1[S:6][CH2:7][CH2:8][NH:9]1.[Na+:24]>>[N+:1](=[O:2])([O-:3])[CH:4]=[C:5]([NH:9][CH2:8][CH2:7][S:6][CH2:22][c:20]1[cH:19][cH:18][c:17]([CH2:16][N:14]([CH3:13])[CH3:15])[o:21]1)[NH:11][CH3:10]

Participants

9

Reactant 8

HCID 175AcetateHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 6329MethylamineHCID 6342AcetonitrileHCID 7909Methyl Isobutyl KetoneHCID 38355832-Nitromethylene-thiazolidineHCID 129547912-Furanmethanamine, 5-(chloromethyl)-N,N-dimethyl-

Product 1

HCID 5039Ranisen

Sources & evidence

ORD record
ord-f3379b7d0dee483291e2e1483532f625
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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