Ammonium → 1-{2-[4-(8-Fluoro-2-methoxy-5H-6-thia-chrysen-5-yl)-phenoxy]-ethyl}-piperidine

HRID 125082Notes

Reaction equation

HRID 125082 reaction equation
[Al+3:40].[C:61](=[O:62])([OH:63])[O-:64].[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:56][S:57](=[O:58])(=[O:59])[Cl:60].[CH:47]([N:48]([CH:49]([CH3:50])[CH3:51])[CH2:52][CH3:53])([CH3:54])[CH3:55].[Cl-:45].[F:1][c:2]1[cH:3][c:4]([S:37][CH3:38])[c:5](-[c:8]2[c:9]([C:20](=[O:21])[c:22]3[cH:23][cH:24][c:25]([O:28][CH2:29][CH2:30][N:31]4[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]4)[cH:26][cH:27]3)[c:10]3[cH:11][cH:12][c:13]([O:18][CH3:19])[cH:14][c:15]3[cH:16][cH:17]2)[cH:6][cH:7]1.[H-:39].[H-:42].[H-:43].[H-:44].[Li+:41].[NH4+:46].[Na+:65]>>[F:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)-[c:8]1[c:9]([c:10]3[cH:11][cH:12][c:13]([O:18][CH3:19])[cH:14][c:15]3[cH:16][cH:17]1)[CH:20]([c:22]1[cH:23][cH:24][c:25]([O:28][CH2:29][CH2:30][N:31]3[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]3)[cH:26][cH:27]1)[S:37]2

Participants

12

Reactant 11

HCID 223AmmoniumHCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 31297Methanesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 104727Aluminum CationHCID 166653Hydride4×HCID 57552520[2-(4-Fluoro-2-methylsulfanyl-phenyl)-6-methoxy-naphthalen-1-yl]-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-methanone

Product 1

HCID 114548221-{2-[4-(8-Fluoro-2-methoxy-5H-6-thia-chrysen-5-yl)-phenoxy]-ethyl}-piperidine

Sources & evidence

ORD record
ord-e54566f3d73b43c29d441eff1ba71110
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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