Hydrogen Bromide → 6-[4-(3-carbomethoxy3,3-dimethylpropyloxy)-3-chlorophenyl]-4,5-dihydro-3(2H)-pyridazinone

HRID 197957

Reaction equation

HRID 197957 reaction equation
[Br:16][CH2:17][CH2:18][C:19]([C:20](=[O:21])[O:22][CH3:23])([CH3:24])[CH3:25].[BrH:34].[CH2:53]([O:54][CH2:55][CH3:56])[CH3:57].[CH3:26][C:27]1([CH3:28])[CH2:29][CH2:30][O:31][C:32]1=[O:33].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[CH3:65][OH:66].[Cl-:35].[Cl:1][c:2]1[cH:3][c:4]([C:9]2=[N:14][NH:13][C:12](=[O:15])[CH2:11][CH2:10]2)[cH:5][cH:6][c:7]1[OH:8].[Cl:36][C:37]([C:38]([Cl:39])=[O:40])=[O:41].[K+:42].[K+:43].[O-:44][C:45]([O-:46])=[O:47].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[Cl:1][c:2]1[cH:3][c:4]([C:9]2=[N:14][NH:13][C:12](=[O:15])[CH2:11][CH2:10]2)[cH:5][cH:6][c:7]1[O:8][CH2:17][CH2:18][C:19]([C:20](=[O:21])[O:22][CH3:23])([CH3:24])[CH3:25]

Participants

13

Reactant 12

HCID 260Hydrogen BromideHCID 312ChlorideHCID 813Potassium Cation2×HCID 887MethanolHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 8471TriethylamineHCID 19660Carbonate IonHCID 65578Oxalyl chlorideHCID 947462,2-Dimethyl-4-butyrolactoneHCID 14928877Butanoic acid, 4-bromo-2,2-dimethyl-, methyl esterHCID 1355888616-(3-chloro-4-hydroxyphenyl)-4,5-dihydro-3(2H)-pyridazinone

Product 1

HCID 150163876-[4-(3-carbomethoxy3,3-dimethylpropyloxy)-3-chlorophenyl]-4,5-dihydro-3(2H)-pyridazinone

Sources & evidence

ORD record
ord-15baa8cf6d454e6aa157020ed7400f4f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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