O-Xylene → 3-(4,4-Dimethyl-2-thioxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-benzonitrile

HRID 1204016Notes

Reaction equation

HRID 1204016 reaction equation
[CH3:1][C:2]1([CH3:21])[c:3]2[c:4]([cH:9][cH:10][c:11](-[c:13]3[cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19][cH:20]3)[cH:12]2)[NH:5][C:6](=[O:8])[O:7]1.[CH3:22][O:23][c:24]1[cH:25][cH:26][c:27]([P:28]2(=[S:31])[S:29][P:30]([c:32]3[cH:33][cH:34][c:35]([O:36][CH3:37])[cH:38][cH:39]3)(=[S:40])[S:41]2)[cH:42][cH:43]1.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH3:50][c:51]1[c:52]([CH3:53])[cH:54][cH:55][cH:56][cH:57]1>>[CH3:1][C:2]1([CH3:21])[c:3]2[c:4]([cH:9][cH:10][c:11](-[c:13]3[cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19][cH:20]3)[cH:12]2)[NH:5][C:6](=[S:31])[O:7]1

Participants

5

Reactant 4

HCID 7237O-XyleneHCID 8857Ethyl AcetateHCID 87949Lawesson's reagentHCID 98142163-(4,4-Dimethyl-2-oxo-2,4-dihydro-1H-benzo[D][1,3]oxazin-6-YL)benzonitrile

Product 1

HCID 98390783-(4,4-Dimethyl-2-thioxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-benzonitrile

Sources & evidence

ORD record
ord-8e8660a3c7954da0a0d5e8aa2691baba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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