Water → 1-[4-(1-Ethyl-1-{4-[(2-methanesulfonylethylamino)methyl]-3-methylphenyl}propyl)-2-methylphenoxy]-3,3-dimethylbutan-2-ol

HRID 321242Notes

Reaction equation

HRID 321242 reaction equation
[C:1]([Si:2]([CH3:3])([CH3:4])[O:6][CH:7]([CH2:8][O:9][c:10]1[c:11]([CH3:36])[cH:12][c:13]([C:16]([CH2:17][CH3:18])([CH2:19][CH3:20])[c:21]2[cH:22][c:23]([CH3:35])[c:24]([CH2:25][NH:26][CH2:27][CH2:28][S:29](=[O:30])(=[O:31])[CH3:32])[cH:33][cH:34]2)[cH:14][cH:15]1)[C:37]([CH3:38])([CH3:39])[CH3:40])([CH3:5])([CH3:41])[CH3:42].[CH2:44]([N+:45]([CH2:46][CH2:47][CH2:48][CH3:49])([CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH3:60].[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[F-:43].[OH2:66]>>[OH:6][CH:7]([CH2:8][O:9][c:10]1[c:11]([CH3:36])[cH:12][c:13]([C:16]([CH2:17][CH3:18])([CH2:19][CH3:20])[c:21]2[cH:22][c:23]([CH3:35])[c:24]([CH2:25][NH:26][CH2:27][CH2:28][S:29](=[O:30])(=[O:31])[CH3:32])[cH:33][cH:34]2)[cH:14][cH:15]1)[C:37]([CH3:38])([CH3:39])[CH3:40]

Participants

6

Reactant 5

HCID 962WaterHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 68464086[4-(1-{4-[2-(t-Butyldimethylsilanyloxy)-3,3-dimethylbutoxy]-3-methylphenyl}-1-ethylpropyl)-2-methylbenzyl]-(2-methanesulfonylethyl)amine

Product 1

HCID 100976061-[4-(1-Ethyl-1-{4-[(2-methanesulfonylethylamino)methyl]-3-methylphenyl}propyl)-2-methylphenoxy]-3,3-dimethylbutan-2-ol

Sources & evidence

ORD record
ord-5f010cd3bfd14019ba4d3b02c971e7dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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