Tetrahydro-4H-pyran-4-one → Necrox-7

HRID 1553951Notes

Reaction equation

HRID 1553951 reaction equation
[O:1]=[S:2]1(=[O:27])[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[cH:10][c:11]3[cH:12][c:13](-[c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[nH:14][c:15]3[c:16]([N+:18]([O-:19])=[O:20])[cH:17]2)[CH2:6][CH2:7]1.[O:28]1[CH2:29][CH2:30][C:31](=[O:34])[CH2:32][CH2:33]1>>[O:1]=[S:2]1(=[O:27])[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[cH:10][c:11]3[cH:12][c:13](-[c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[nH:14][c:15]3[c:16]([NH:18][CH:31]3[CH2:30][CH2:29][O:28][CH2:33][CH2:32]3)[cH:17]2)[CH2:6][CH2:7]1

Participants

3

Reactant 2

HCID 121599Tetrahydro-4H-pyran-4-oneHCID 684718685-(1,1-Dioxo-thiomorpholin-4-yl)methyl-2-phenyl-7-nitro-1H-indole

Product 1

HCID 44187164Necrox-7

Sources & evidence

ORD record
ord-6dd70002d77149a4b967fa6c14994e12
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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