Toluene → Sedaxane

HRID 312234Notes

Reaction equation

HRID 312234 reaction equation
[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH:13]1([CH:23]2[CH2:24][CH2:25]2)[CH:14]([c:16]2[c:17]([NH2:22])[cH:18][cH:19][cH:20][cH:21]2)[CH2:15]1.[F:1][CH:2]([c:3]1[n:4][n:5]([CH3:11])[cH:6][c:7]1[C:8](=[O:9])[Cl:10])[F:12]>>[F:1][CH:2]([c:3]1[n:4][n:5]([CH3:11])[cH:6][c:7]1[C:8](=[O:9])[NH:22][c:17]1[c:16]([CH:14]2[CH:13]([CH:23]3[CH2:24][CH2:25]3)[CH2:15]2)[cH:21][cH:20][cH:19][cH:18]1)[F:12]

Participants

4

Reactant 3

HCID 1140TolueneHCID 153401103-(Difluoromethyl)-1-methyl-1 H-pyrazole-4-carbonyl chlorideHCID 167270602-Bicyclopropyl-2-yl-phenylamine

Product 1

HCID 11688533Sedaxane

Sources & evidence

ORD record
ord-49130207ab7146a8b85f22b9ffe516e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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