Hydrochloric Acid → Hydrochloric Acid

HRID 2152356Notes

Reaction equation

HRID 2152356 reaction equation
[Al+3:39].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[ClH:44].[H-:38].[H-:41].[H-:42].[H-:43].[Li+:40].[OH:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7](-[c:29]3[c:30]([F:37])[cH:31][c:32]([F:36])[cH:33][c:34]3[F:35])[c:8]([C:12](=[O:13])[c:14]3[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][N:23]4[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]4)[cH:18][cH:19]3)[c:9]2[cH:10][cH:11]1>>[ClH:44].[OH:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7](-[c:29]3[c:30]([F:37])[cH:31][c:32]([F:36])[cH:33][c:34]3[F:35])[c:8]([CH:12]([OH:13])[c:14]3[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][N:23]4[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]4)[cH:18][cH:19]3)[c:9]2[cH:10][cH:11]1

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 67004176[6-Hydroxy-2-(2,4,6-trifluoro-phenyl)-naphthalen-1-yl]-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-methanone

Product 2

HCID 313Hydrochloric AcidHCID 670041915-(Hydroxy-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-methyl)-6-(2,4,6-trifluoro-phenyl)-naphthalen-2-ol

Sources & evidence

ORD record
ord-c2b543a360714876aa341295a8a40320
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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