Dichloromethane → 4-(Octyloxy)benzoic acid

HRID 2160359

Reaction equation

HRID 2160359 reaction equation
[CH2:20]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[O:28][c:29]1[cH:30][cH:31][c:32]([C:33](=[O:34])[OH:35])[cH:36][cH:37]1.[CH3:53][N:54]([CH3:55])[c:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1.[CH:38]1([N:39]=[C:40]=[N:41][CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1.[Cl:62][CH2:63][Cl:64].[OH:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]([CH:15]([CH2:16][CH3:17])[CH3:18])=[O:19])[cH:12][cH:13]2)[cH:6][cH:7]1>>[CH2:20]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[O:28][c:29]1[cH:30][cH:31][c:32]([C:33](=[O:34])[OH:35])[cH:36][cH:37]1.[cH:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]([CH:15]([CH2:16][CH3:17])[CH3:18])=[O:19])[cH:12][cH:13]2)[cH:6][cH:7]1

Participants

7

Reactant 5

HCID 6344DichloromethaneHCID 10868DicyclohexylcarbodiimideHCID 142844-(Dimethylamino)pyridineHCID 172314-(Octyloxy)benzoic acidHCID 14745904(+)-4-Hydroxy-4'-(2-methylbutanoyl) biphenyl

Product 2

HCID 172314-(Octyloxy)benzoic acidHCID 2302112-Methyl-1-(4-phenylphenyl)butan-1-one

Sources & evidence

ORD record
ord-4a2f9e1d1dc4429bb9b4163aa1775e81
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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