Toluene → HCID 178425464, compound

HRID 2327045Notes

Reaction equation

HRID 2327045 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.[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Cl:23][c:24]1[c:25]([N:30]2[C:31](=[O:38])[CH2:32][NH:33][C:34]([CH3:36])([CH3:37])[CH2:35]2)[cH:26][cH:27][cH:28][cH:29]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:33]2[CH2:32][C:31](=[O:38])[N:30]([c:25]3[c:24]([Cl:23])[cH:29][cH:28][cH:27][cH:26]3)[CH2:35][C:34]2([CH3:36])[CH3:37])[CH2:6]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 666457101-(2-Chlorophenyl)-5,5-dimethylpiperazin-2-oneHCID 178422891HCID 178422891, compound

Product 1

HCID 178425464HCID 178425464, compound

Sources & evidence

ORD record
ord-492c404842364c4f8cfb3d5b9fcba158
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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