4-Isopropylphenol → HCID 11641091, compound

HRID 1137774Notes

Reaction equation

[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6](=[O:7])(=[O:8])[O:11][CH2:12][CH2:13][CH2:14][NH:15][C:16]2=[C:20]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[S:19](=[O:27])(=[O:28])[N:18]([C:29]([CH3:30])([CH3:31])[CH3:32])[C:17]2=[O:33])[cH:9][cH:10]1.[CH:34]([CH3:35])([CH3:36])[c:37]1[cH:38][cH:39][c:40]([OH:43])[cH:41][cH:42]1>>[O:11]([CH2:12][CH2:13][CH2:14][NH:15][C:16]1=[C:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[S:19](=[O:27])(=[O:28])[N:18]([C:29]([CH3:30])([CH3:31])[CH3:32])[C:17]1=[O:33])[c:40]1[cH:39][cH:38][c:37]([CH:34]([CH3:35])[CH3:36])[cH:42][cH:41]1

Participants

Reactant 2

HCID 74654-Isopropylphenol

HCID 866258673-[(2-Tert-butyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]propyl 4-methylbenzenesulfonate

Product 1

HCID 11641091HCID 11641091, compound

Sources & evidence

ORD record: ord-f50d2f5bb7634af4b8d861875dee8a2f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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