Ammonium → Rac 4-(2-phenyl-2-{4-[2,2,2-trifluoro-1-(4-methoxy-benzyloxy)-1-trifluoromethyl-ethyl]-phenoxy}-ethoxy)-benzaldehyde

HRID 1132440Notes

Reaction equation

HRID 1132440 reaction equation
[C:44](#[N:45])[CH3:46].[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[K+:57].[NH4+:47].[O-:48][N+:49](=[O:50])[O-:51].[OH2:43].[S:52](=[O:53])(=[O:54])([OH:55])[O-:56].[c:1]1([CH:7]([CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[O:17][c:18]2[cH:19][cH:20][c:21]([C:24]([C:25]([F:26])([F:27])[F:28])([C:29]([F:30])([F:31])[F:32])[O:33][CH2:34][c:35]3[cH:36][cH:37][c:38]([O:41][CH3:42])[cH:39][cH:40]3)[cH:22][cH:23]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([CH:16]=[O:48])[cH:14][cH:15]2)[O:17][c:18]2[cH:19][cH:20][c:21]([C:24]([C:25]([F:26])([F:27])[F:28])([C:29]([F:30])([F:31])[F:32])[O:33][CH2:34][c:35]3[cH:36][cH:37][c:38]([O:41][CH3:42])[cH:39][cH:40]3)[cH:22][cH:23]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 813Potassium CationHCID 943NitrateHCID 962WaterHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 61778Sulfate, hydrogenHCID 87604960HCID 87604960, compound

Product 1

HCID 87604503Rac 4-(2-phenyl-2-{4-[2,2,2-trifluoro-1-(4-methoxy-benzyloxy)-1-trifluoromethyl-ethyl]-phenoxy}-ethoxy)-benzaldehyde

Sources & evidence

ORD record
ord-e6ab07e68efb440a8c2b0d4b79f2910e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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