3,4-Xylenethiol → HCID 20281804, compound

HRID 142409Notes

Reaction equation

HRID 142409 reaction equation
[CH3:21][c:22]1[cH:23][c:24]([SH:29])[cH:25][cH:26][c:27]1[CH3:28].[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH3:20])[c:10]2[c:11]([cH:19]1)[C:12]([CH3:17])([CH3:18])[O:13][C:14](=[O:16])[NH:15]2>>[CH2:2]([CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH3:20])[c:10]2[c:11]([cH:19]1)[C:12]([CH3:17])([CH3:18])[O:13][C:14](=[O:16])[NH:15]2)[S:29][c:24]1[cH:23][c:22]([CH3:21])[c:27]([CH3:28])[cH:26][cH:25]1

Participants

3

Reactant 2

HCID 877993,4-XylenethiolHCID 202818636-(4-chlorobutoxy)-4,4,8-trimethyl-4H-3,1-benzoxazin-2-one

Product 1

HCID 20281804HCID 20281804, compound

Sources & evidence

ORD record
ord-dddd7ed2492541488edaabd7e23654b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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