4-Methylbenzenethiol → 6-[4-(4-Methyl-phenylmercapto)-butoxy]-4,4-di-n-hexyl-4H-3,1-benzoxazin-2-one

HRID 2335611Notes

Reaction equation

HRID 2335611 reaction equation
[CH3:30][c:31]1[cH:32][cH:33][c:34]([SH:37])[cH:35][cH:36]1.[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]2[c:11]([cH:29]1)[C:12]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[O:13][C:14](=[O:16])[NH:15]2>>[CH2:2]([CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]2[c:11]([cH:29]1)[C:12]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[O:13][C:14](=[O:16])[NH:15]2)[S:37][c:34]1[cH:33][cH:32][c:31]([CH3:30])[cH:36][cH:35]1

Participants

3

Reactant 2

HCID 78114-MethylbenzenethiolHCID 132605076-(4-Chlorobutoxy)-4,4-dihexyl-1,4-dihydro-2H-3,1-benzoxazin-2-one

Product 1

HCID 132605166-[4-(4-Methyl-phenylmercapto)-butoxy]-4,4-di-n-hexyl-4H-3,1-benzoxazin-2-one

Sources & evidence

ORD record
ord-1f83d6865ca94fcfaab1941d6cec15f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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