Hydroxide → 6-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)piperidin-1-yl)-1-methyl-1H-indole-3-carboxylic acid

HRID 675386Notes

Reaction equation

HRID 675386 reaction equation
[CH2:41]1[O:42][CH2:43][CH2:44][O:45][CH2:46]1.[CH3:3][O:4][C:5](=[O:6])[c:7]1[cH:8][n:9]([CH3:40])[c:10]2[cH:11][c:12]([N:16]3[CH2:17][CH2:18][CH:19]([O:22][CH2:23][c:24]4[c:25](-[c:32]5[c:33]([Cl:39])[cH:34][cH:35][cH:36][c:37]5[Cl:38])[n:26][o:27][c:28]4[CH:29]4[CH2:30][CH2:31]4)[CH2:20][CH2:21]3)[cH:13][cH:14][c:15]12.[Li+:1].[OH-:2]>>[O:4]=[C:5]([OH:6])[c:7]1[cH:8][n:9]([CH3:40])[c:10]2[cH:11][c:12]([N:16]3[CH2:17][CH2:18][CH:19]([O:22][CH2:23][c:24]4[c:25](-[c:32]5[c:33]([Cl:39])[cH:34][cH:35][cH:36][c:37]5[Cl:38])[n:26][o:27][c:28]4[CH:29]4[CH2:30][CH2:31]4)[CH2:20][CH2:21]3)[cH:13][cH:14][c:15]12

Participants

5

Reactant 4

HCID 961HydroxideHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 593693306-{4-[5-Cyclopropyl-3-(2,6-dichloro-phenyl)-isoxazol-4-ylmethoxy]-piperidin-1-yl}-1-methyl-1H-indole-3-carboxylic acid methyl ester

Product 1

HCID 252047676-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)piperidin-1-yl)-1-methyl-1H-indole-3-carboxylic acid

Sources & evidence

ORD record
ord-091e12b5b42a477f922663773dd2fe46
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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