2-Methoxy-4-(methylthio)benzoyl chloride → 4,4-Dimethyl-7-(2-methoxy-4-methylmercapto-benzoylamino)-8-nitro-2H,4H-isoquinoline-1,3-dione

HRID 166969Notes

Reaction equation

HRID 166969 reaction equation
[CH3:19][O:20][c:21]1[c:22]([C:23](=[O:24])[Cl:25])[cH:26][cH:27][c:28]([S:30][CH3:31])[cH:29]1.[CH3:1][C:2]1([CH3:18])[C:3](=[O:17])[NH:4][C:5](=[O:16])[c:6]2[c:7]([N+:13](=[O:14])[O-:15])[c:8]([NH2:12])[cH:9][cH:10][c:11]21>>[CH3:1][C:2]1([CH3:18])[C:3](=[O:17])[NH:4][C:5](=[O:16])[c:6]2[c:7]([N+:13](=[O:14])[O-:15])[c:8]([NH:12][C:23]([c:22]3[c:21]([O:20][CH3:19])[cH:29][c:28]([S:30][CH3:31])[cH:27][cH:26]3)=[O:24])[cH:9][cH:10][c:11]21

Participants

3

Reactant 2

HCID 27595912-Methoxy-4-(methylthio)benzoyl chlorideHCID 111184431,3(2H,4H)-Isoquinolinedione, 7-amino-4,4-dimethyl-8-nitro-

Product 1

HCID 538613404,4-Dimethyl-7-(2-methoxy-4-methylmercapto-benzoylamino)-8-nitro-2H,4H-isoquinoline-1,3-dione

Sources & evidence

ORD record
ord-9be05251665e461781658c2a9c944a55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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