O-Xylene → 6-(3-Chlorophenyl)-4,4-dimethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-thione

HRID 86046Notes

Reaction equation

HRID 86046 reaction equation
[CH3:21][O:22][c:23]1[cH:24][cH:25][c:26]([P:27]2(=[S:30])[S:28][P:29]([c:31]3[cH:32][cH:33][c:34]([O:35][CH3:36])[cH:37][cH:38]3)(=[S:39])[S:40]2)[cH:41][cH:42]1.[CH3:43][c:44]1[c:45]([CH3:46])[cH:47][cH:48][cH:49][cH:50]1.[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][c:10]3[c:11]([cH:19][cH:20]2)[NH:12][C:13](=[O:18])[O:14][C:15]3([CH3:16])[CH3:17])[cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][c:10]3[c:11]([cH:19][cH:20]2)[NH:12][C:13](=[S:30])[O:14][C:15]3([CH3:16])[CH3:17])[cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 7237O-XyleneHCID 87949Lawesson's reagentHCID 98823916-(3-Chlorophenyl)-4,4-dimethyl-1H-benzo[D][1,3]oxazin-2(4H)-one

Product 1

HCID 97964726-(3-Chlorophenyl)-4,4-dimethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-thione

Sources & evidence

ORD record
ord-9f776296f40e4c39b29eeda7a2de3df5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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