5-{4-[5-Cyclopropyl-3-(2,6-dichloro-phenyl)-isoxazol-4-ylmethoxy]-piperidin-1-yl}-biphenyl-2-carboxylic acid → 6-{4-[5-Cyclopropyl-3-(2,6-dichloro-phenyl)-isoxazol-4-ylmethoxy]-azepan-1-yl}-1-methyl-1H-indole-3-carboxylic acid

HRID 162394Notes

Reaction equation

HRID 162394 reaction equation
[CH3:40][O:41][C:42](=[O:43])[c:44]1[cH:45][n:46]([CH3:78])[c:47]2[cH:48][c:49]([N:53]3[CH2:54][CH2:55][CH:56]([O:60][CH2:61][c:62]4[c:63](-[c:70]5[c:71]([Cl:77])[cH:72][cH:73][cH:74][c:75]5[Cl:76])[n:64][o:65][c:66]4[CH:67]4[CH2:68][CH2:69]4)[CH2:57][CH2:58][CH2:59]3)[cH:50][cH:51][c:52]12.[CH:1]1([c:2]2[o:3][n:4][c:5](-[c:6]3[c:7]([Cl:8])[cH:9][cH:10][cH:11][c:12]3[Cl:13])[c:14]2[CH2:15][O:16][CH:17]2[CH2:18][CH2:19][N:20]([c:21]3[cH:22][c:23](-[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:30]([C:31]([OH:32])=[O:33])[cH:34][cH:35]3)[CH2:36][CH2:37]2)[CH2:38][CH2:39]1>>[O:41]=[C:42]([OH:43])[c:44]1[cH:45][n:46]([CH3:78])[c:47]2[cH:48][c:49]([N:53]3[CH2:54][CH2:55][CH:56]([O:60][CH2:61][c:62]4[c:63](-[c:70]5[c:71]([Cl:77])[cH:72][cH:73][cH:74][c:75]5[Cl:76])[n:64][o:65][c:66]4[CH:67]4[CH2:68][CH2:69]4)[CH2:57][CH2:58][CH2:59]3)[cH:50][cH:51][c:52]12

Participants

3

Reactant 2

HCID 252048335-{4-[5-Cyclopropyl-3-(2,6-dichloro-phenyl)-isoxazol-4-ylmethoxy]-piperidin-1-yl}-biphenyl-2-carboxylic acidHCID 59369340HCID 59369340, compound

Product 1

HCID 252050366-{4-[5-Cyclopropyl-3-(2,6-dichloro-phenyl)-isoxazol-4-ylmethoxy]-azepan-1-yl}-1-methyl-1H-indole-3-carboxylic acid

Sources & evidence

ORD record
ord-a00e42415dcd4724b29dd5f42bc0bee9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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