Pyridine → [2-(1-Adamantyl)-4-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]phenyl] octadeca-9,12-dienoate

HRID 682952

Reaction equation

HRID 682952 reaction equation
[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])(=[O:19])[Cl:20].[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26]([CH:27]=[CH:28][c:29]1[cH:30][cH:31][c:32](-[c:35]2[cH:36][c:37]([C:42]34[CH2:43][CH:44]5[CH2:45][CH:46]([CH2:47][CH:48]([CH2:49]3)[CH2:50]5)[CH2:51]4)[c:38]([OH:41])[cH:39][cH:40]2)[cH:33][cH:34]1)=[O:52].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[cH:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1>>[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])(=[O:19])[O:41][c:38]1[c:37]([C:42]23[CH2:43][CH:44]4[CH2:45][CH:46]([CH2:47][CH:48]([CH2:49]2)[CH2:50]4)[CH2:51]3)[cH:36][c:35](-[c:32]2[cH:31][cH:30][c:29]([CH:28]=[CH:27][C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:52])[cH:34][cH:33]2)[cH:40][cH:39]1

Participants

5

Reactant 4

HCID 1049PyridineHCID 8857Ethyl AcetateHCID 98987Octadeca-9,12-dienoyl chlorideHCID 91423868Tert-butyl 3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]prop-2-enoate

Product 1

HCID 123671257[2-(1-Adamantyl)-4-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]phenyl] octadeca-9,12-dienoate

Sources & evidence

ORD record
ord-de61ddc22d9645c1a0dad6f8d90ff5f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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