Toluene → HCID 178426024, compound

HRID 2154912Notes

Reaction equation

HRID 2154912 reaction equation
[CH3:1][CH:2]1[C:3](=[O:22])[O:4][CH:5]([CH:7]2[N:8]([S:10](=[O:11])(=[O:12])[c:13]3[c:14]([N+:19](=[O:20])[O-:21])[cH:15][cH:16][cH:17][cH:18]3)[CH2:9]2)[CH2:6]1.[CH3:23][C:24]1([CH3:39])[NH:25][CH2:26][C:27](=[O:38])[N:28]([c:30]2[c:31]([CH3:37])[cH:32][cH:33][c:34]([F:36])[cH:35]2)[CH2:29]1.[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[CH3:1][CH:2]1[C:3](=[O:22])[O:4][CH:5]([CH:7]([NH:8][S:10](=[O:11])(=[O:12])[c:13]2[c:14]([N+:19](=[O:20])[O-:21])[cH:15][cH:16][cH:17][cH:18]2)[CH2:9][N:25]2[C:24]([CH3:23])([CH3:39])[CH2:29][N:28]([c:30]3[c:31]([CH3:37])[cH:32][cH:33][c:34]([F:36])[cH:35]3)[C:27](=[O:38])[CH2:26]2)[CH2:6]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 666457455,5-Dimethyl-1-(5-fluoro-2-methylphenyl)piperazin-2-oneHCID 178422891HCID 178422891, compound

Product 1

HCID 178426024HCID 178426024, compound

Sources & evidence

ORD record
ord-55abb5cbfdf247ecbcefb8c1d0b69b77
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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