Ammonium → 6-{4-[3-(2,6-Dichloro-phenyl)-5-isopropyl-isoxazol-4-ylmethoxy]-piperidin-1-yl}-1-methyl-1H-indole-3-carboxylic acid methyl ester

HRID 300099Notes

Reaction equation

HRID 300099 reaction equation
[Br:24][CH2:25][c:26]1[c:27](-[c:34]2[c:35]([Cl:41])[cH:36][cH:37][cH:38][c:39]2[Cl:40])[n:28][o:29][c:30]1[CH:31]([CH3:32])[CH3:33].[CH2:45]([N+:46]([CH2:47][CH2:48][CH2:49][CH3:50])([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH3:61].[CH3:3][O:4][C:5](=[O:6])[c:7]1[cH:8][n:9]([CH3:23])[c:10]2[cH:11][c:12]([N:16]3[CH2:17][CH2:18][CH:19]([OH:22])[CH2:20][CH2:21]3)[cH:13][cH:14][c:15]12.[Cl-:42].[H-:1].[I-:44].[NH4+:43].[Na+:2].[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1>>[CH3:3][O:4][C:5](=[O:6])[c:7]1[cH:8][n:9]([CH3:23])[c:10]2[cH:11][c:12]([N:16]3[CH2:17][CH2:18][CH:19]([O:22][CH2:25][c:26]4[c:27](-[c:34]5[c:35]([Cl:41])[cH:36][cH:37][cH:38][c:39]5[Cl:40])[n:28][o:29][c:30]4[CH:31]([CH3:32])[CH3:33])[CH2:20][CH2:21]3)[cH:13][cH:14][c:15]12

Participants

10

Reactant 9

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 30165Iodide IonHCID 166653HydrideHCID 669061336-(4-Hydroxy-piperidin-1-yl)-1-methyl-1H-indole-3-carboxylic acid methyl esterHCID 669064404-Bromomethyl-3-(2,6-dichloro-phenyl)-5-isopropyl-isoxazole

Product 1

HCID 593693356-{4-[3-(2,6-Dichloro-phenyl)-5-isopropyl-isoxazol-4-ylmethoxy]-piperidin-1-yl}-1-methyl-1H-indole-3-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-066ecc96612c4ea18c4f452b5b34a970
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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