Acetonitrile → 3-(Isopropyl-methyl-amino)-4-(4-methoxy-phenyl)-cyclobut-3-ene-1,2-dione

HRID 90832

Reaction equation

HRID 90832 reaction equation
[CH3:19][NH:20][CH:21]([CH3:22])[CH3:23].[CH3:24][C:25]#[N:26].[CH:1]([O:2][c:5]1[c:6](=[O:18])[c:7](=[O:17])[c:8]1-[c:9]1[cH:10][cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]1)([CH3:3])[CH3:4]>>[c:5]1([N:20]([CH3:19])[CH:21]([CH3:22])[CH3:23])[c:6](=[O:18])[c:7](=[O:17])[c:8]1-[c:9]1[cH:10][cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 78485N-MethylisopropylamineHCID 147378433-Isopropoxy-4-(4-methoxy-phenyl)-cyclobut-3-ene-1,2-dione

Product 1

HCID 98816173-(Isopropyl-methyl-amino)-4-(4-methoxy-phenyl)-cyclobut-3-ene-1,2-dione

Sources & evidence

ORD record
ord-19551d6c86624aab8313437675f68582
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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