Dichloromethane → 4-[2-Methyl-4-(3-oxidopyrimidin-3-ium-4-yl)but-3-en-2-yl]oxybenzonitrile

HRID 1130475Notes

Reaction equation

HRID 1130475 reaction equation
[C:6](#[N:7])[c:8]1[cH:9][cH:10][c:11]([O:12][C:13]([CH:14]([CH2:15][c:16]2[cH:17][cH:18][n:19][cH:20][n+:21]2[O-:22])[OH:23])([CH3:24])[CH3:25])[cH:26][cH:27]1.[CH3:1][S:2](=[O:3])(=[O:4])[Cl:5].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[Cl:35][CH2:36][Cl:37]>>[C:6](#[N:7])[c:8]1[cH:9][cH:10][c:11]([O:12][C:13]([CH:14]=[CH:15][c:16]2[cH:17][cH:18][n:19][cH:20][n+:21]2[O-:22])([CH3:24])[CH3:25])[cH:26][cH:27]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 198956106-[3-(4-Cyanophenoxy)-2-hydroxy-3-methylbutyl]pyrimidine 1-oxide

Product 1

HCID 542201034-[2-Methyl-4-(3-oxidopyrimidin-3-ium-4-yl)but-3-en-2-yl]oxybenzonitrile

Sources & evidence

ORD record
ord-04ca94ecf48e4022806c21164e631d12
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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