Ammonium → (5-Benzyloxy-4-methoxy-2-methylphenyl)(2-chloro-4-trifluoromethyl-3-pyridyl)methanol

HRID 1546766Notes

Reaction equation

HRID 1546766 reaction equation
[C:53](=[O:54])([OH:55])[O-:56].[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[O:39][c:40]1[c:41]([O:49][CH3:50])[cH:42][c:43]([CH3:48])[c:44]([CH:45]=[O:46])[cH:47]1.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH3:69][CH2:70][CH2:71][CH2:72][CH2:73][CH3:74].[CH:13]([N-:14][CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[CH:6]([NH:7][CH:8]([CH3:9])[CH3:10])([CH3:11])[CH3:12].[Cl-:51].[Cl:21][c:22]1[n:23][cH:24][cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1.[Li+:20].[NH4+:52].[Na+:57].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1>>[Cl:21][c:22]1[n:23][cH:24][cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[c:27]1[CH:45]([c:44]1[c:43]([CH3:48])[cH:42][c:41]([O:49][CH3:50])[c:40]([O:39][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:47]1)[OH:46]

Participants

14

Reactant 13

HCID 223AmmoniumHCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8058HexaneHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 1449582-Chloro-4-(trifluoromethyl)pyridineHCID 5062348DiisopropylamideHCID 121515395-(Benzyloxy)-4-methoxy-2-methylbenzaldehydeHCID 178418339Butyllithium

Product 1

HCID 12151540(5-Benzyloxy-4-methoxy-2-methylphenyl)(2-chloro-4-trifluoromethyl-3-pyridyl)methanol

Sources & evidence

ORD record
ord-196167977fd7489bbf60bbf766032158
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…