Ethyl Acetate → HCID 11582415, compound

HRID 1227972Notes

Reaction equation

HRID 1227972 reaction equation
[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[CH3:8][c:9]1[cH:10][cH:11][c:12]([S:13]([O:14][CH2:19][CH2:20][CH2:21][NH:22][C:23]2=[C:27]([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[S:26](=[O:34])(=[O:35])[N:25]([C:36]([CH3:37])([CH3:38])[CH3:39])[C:24]2=[O:40])(=[O:15])=[O:16])[cH:17][cH:18]1.[OH:1][c:2]1[cH:3][cH:4][n:5][cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][n:5][cH:6][cH:7]1)[CH2:19][CH2:20][CH2:21][NH:22][C:23]1=[C:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[S:26](=[O:34])(=[O:35])[N:25]([C:36]([CH3:37])([CH3:38])[CH3:39])[C:24]1=[O:40]

Participants

4

Reactant 3

HCID 8857Ethyl AcetateHCID 866258673-[(2-Tert-butyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]propyl 4-methylbenzenesulfonateHCID 178418642HCID 178418642, compound

Product 1

HCID 11582415HCID 11582415, compound

Sources & evidence

ORD record
ord-4a609fbbeee14242b4b13fa5dc3e753d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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