Dimethyl Sulfoxide → [3,5-Dibromo-4-(5-isopropyl-6-oxo-1,6-dihydro-pyridazin-3-ylmethyl)-phenyl]-acetonitrile

Reaction equation

[Br:9][c:10]1[c:11]([CH2:12][c:13]2[cH:14][c:15]([CH:20]([CH3:21])[CH3:22])[c:16](=[O:19])[nH:17][n:18]2)[c:23]([Br:29])[cH:24][c:25]([CH2:27][Cl:28])[cH:26]1.[CH3:30][S:31](=[O:32])[CH3:33].[Na:1][C:2]#[N:3].[S:4](=[O:5])(=[O:6])([OH:7])[OH:8]>>[C:2](#[N:3])[CH2:27][c:25]1[cH:24][c:23]([Br:29])[c:11]([CH2:12][c:13]2[cH:14][c:15]([CH:20]([CH3:21])[CH3:22])[c:16](=[O:19])[nH:17][n:18]2)[c:10]([Br:9])[cH:26]1

Participants

Reactant 4

HCID 679Dimethyl Sulfoxide

HCID 1118Sulfuric Acid

HCID 598345186-(2,6-Dibromo-4-chloromethyl-benzyl)-4-isopropyl-pyridazin-3-one

HCID 178511850HCID 178511850, compound

Product 1

HCID 59834523[3,5-Dibromo-4-(5-isopropyl-6-oxo-1,6-dihydro-pyridazin-3-ylmethyl)-phenyl]-acetonitrile

Sources & evidence

ORD record: ord-6d77e4ef78284a02967bbdbb767adb5c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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