Acetic Acid → 2-[4-(2-Methylquinolin-4-ylmethoxy)benzenesulfonyl]-1-(4-methyltetrahydropyran-4-yl)ethanol

HRID 92795

Reaction equation

HRID 92795 reaction equation
[BH4-:47].[CH2:49]([c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[CH3:56].[CH3:32][C:33]1([C:39](=[O:40])[O:41][CH3:42])[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[CH3:43][C:44](=[O:45])[OH:46].[CH3:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63].[CH3:64][CH2:65][CH2:66][CH2:67][CH2:68][CH3:69].[CH3:9][S:10](=[O:11])(=[O:12])[c:13]1[cH:14][cH:15][c:16]([O:17][CH2:18][c:19]2[cH:20][c:21]([CH3:29])[n:22][c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]23)[cH:30][cH:31]1.[CH:1]([N-:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Li+:8].[Na+:48].[O:70]1[CH2:71][CH2:72][CH2:73][CH2:74]1.[OH2:75]>>[CH2:9]([S:10](=[O:11])(=[O:12])[c:13]1[cH:14][cH:15][c:16]([O:17][CH2:18][c:19]2[cH:20][c:21]([CH3:29])[n:22][c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]23)[cH:30][cH:31]1)[CH:39]([C:33]1([CH3:32])[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1)[OH:40]

Participants

13

Reactant 12

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 7500EthylbenzeneHCID 8028TetrahydrofuranHCID 8058HexaneHCID 8900HeptaneHCID 28123BorohydrideHCID 28486Lithium ionHCID 5062348DiisopropylamideHCID 11019135Methyl 4-methyloxane-4-carboxylateHCID 230180214-(4-Methanesulfonylphenoxymethyl)-2-methylquinoline

Product 1

HCID 688251792-[4-(2-Methylquinolin-4-ylmethoxy)benzenesulfonyl]-1-(4-methyltetrahydropyran-4-yl)ethanol

Sources & evidence

ORD record
ord-38cba0486e354b1a88a8dd021001475a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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