O-Xylene → HCID 13135952, compound

HRID 1538795Notes

Reaction equation

HRID 1538795 reaction equation
[C:18]([CH3:19])([CH3:20])([CH3:21])[c:22]1[cH:23][c:24]([CH2:33][CH2:34][C:35](=[O:36])[OH:37])[cH:25][c:26]([C:29]([CH3:30])([CH3:31])[CH3:32])[c:27]1[OH:28].[N:1]1([c:7]2[cH:8][cH:9][c:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:16][cH:17]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[c:38]1([CH3:39])[c:40]([CH3:41])[cH:42][cH:43][cH:44][cH:45]1>>[N:1]1([c:7]2[cH:8][cH:9][c:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:16][cH:17]2)[CH2:2][CH2:3][N:4]([C:35]([CH2:34][CH2:33][c:24]2[cH:23][c:22]([C:18]([CH3:19])([CH3:20])[CH3:21])[c:27]([OH:28])[c:26]([C:29]([CH3:30])([CH3:31])[CH3:32])[cH:25]2)=[O:36])[CH2:5][CH2:6]1

Participants

4

Reactant 3

HCID 7237O-XyleneHCID 883893-(3',5'-Di-tert-butyl-4'-hydroxyphenyl)propionic acidHCID 2761178Ethyl 4-(piperazin-1-yl)benzoate

Product 1

HCID 13135952HCID 13135952, compound

Sources & evidence

ORD record
ord-71a32b7941e8441a8cdab3812ec0e4c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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