Acetonitrile → 7-(5-morpholin-4-ylmethyl-2-oxooxazolidin-3-yl)-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

HRID 187756Notes

Reaction equation

HRID 187756 reaction equation
[CH2:34]1[CH2:35][O:36][CH2:37][CH2:38][NH:39]1.[CH3:1][S:2]([O:3][CH2:6][CH:7]1[CH2:8][N:9]([c:13]2[cH:14][cH:15][c:16]3[cH:17][c:18](-[c:24]4[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]4)[nH:19][c:20](=[O:23])[c:21]3[cH:22]2)[C:10](=[O:12])[O:11]1)(=[O:4])=[O:5].[CH3:40][C:41]#[N:42]>>[CH2:6]([CH:7]1[CH2:8][N:9]([c:13]2[cH:14][cH:15][c:16]3[cH:17][c:18](-[c:24]4[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]4)[nH:19][c:20](=[O:23])[c:21]3[cH:22]2)[C:10](=[O:12])[O:11]1)[N:39]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 8083MorpholineHCID 575578752-Oxo-3-[1-oxo-3-(2-trifluoromethylphenyl)-1,2-dihydroisoquinolin-7-yl]oxazolidin-5-ylmethyl methanesulfonate

Product 1

HCID 118544507-(5-morpholin-4-ylmethyl-2-oxooxazolidin-3-yl)-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-ae3d2fc86d634879a3e973f5339a0ee8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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