Toluene → Mdl 20610

HRID 1537491Notes

Reaction equation

HRID 1537491 reaction equation
[CH2:32]([Al+:33][CH2:34][CH:35]([CH3:36])[CH3:37])[CH:38]([CH3:39])[CH3:40].[CH2:41]([Cl:42])[Cl:43].[Cl:1][c:2]1[n:3][cH:4][c:5]([S:20](=[O:21])(=[O:22])[CH3:23])[cH:6][c:7]1[CH2:8][CH2:9][C:10](=[O:11])[c:12]1[cH:13][c:14]([Cl:19])[c:15]([Cl:18])[cH:16][cH:17]1.[H-:31].[c:24]1([CH3:25])[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[c:2]12[n:3][cH:4][c:5]([S:20](=[O:21])(=[O:22])[CH3:23])[cH:6][c:7]1[CH2:8][CH2:9][CH:10]([c:12]1[cH:13][c:14]([Cl:19])[c:15]([Cl:18])[cH:16][cH:17]1)[O:11]2

Participants

6

Reactant 5

HCID 1140TolueneHCID 6344DichloromethaneHCID 166653HydrideHCID 135677733-[2-Chloro-5-(methylsulfonyl)-3-pyridinyl]-1-(3,4-dichlorophenyl)propan-1-oneHCID 16686348Bis(2-methylpropyl)alumanylium

Product 1

HCID 128209Mdl 20610

Sources & evidence

ORD record
ord-b0189a914e8145f4920a779e71bca71a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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