Benzene → Ethyl 4-(4'-heptyloxybenzyloxy)benzoate

HRID 311096Notes

Reaction equation

HRID 311096 reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][OH:14])[cH:15][cH:16]1.[O:29]=[C:30]([O:31][CH2:32][CH3:33])[N:34]=[N:35][C:36]([O:37][CH2:38][CH3:39])=[O:40].[OH:17][c:18]1[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:27][cH:28]1.[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1.[cH:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][O:14][c:18]2[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:27][cH:28]2)[cH:15][cH:16]1

Participants

6

Reactant 5

HCID 241BenzeneHCID 8434EthylparabenHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 130796974-Heptyloxybenzyl alcohol

Product 1

HCID 19824471Ethyl 4-(4'-heptyloxybenzyloxy)benzoate

Sources & evidence

ORD record
ord-5fc4ce4c64f84df5810f7487cbab006d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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