1-(4-Amino-3-fluoro-phenoxy)-cyclopropanecarboxylic acid methyl ester → 1-(4-{2-[2-(4-Chloro-phenyl)-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-3-fluoro-phenoxy)-cyclopropanecarboxylic acid methyl ester

HRID 677081Notes

Reaction equation

HRID 677081 reaction equation
[CH2:1]([O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([NH:9][C:10](=[O:11])[CH:12]([n:13]2[c:14]3[cH:15][c:16]([F:17])[c:18]([F:19])[cH:20][c:21]3[n:22][c:23]2-[c:24]2[cH:25][cH:26][c:27]([Cl:28])[cH:29][cH:30]2)[CH:31]2[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[cH:37][cH:38]1)[CH3:39].[CH3:66][O:67][C:68](=[O:69])[C:70]1([O:73][c:74]2[cH:75][c:76]([F:81])[c:77]([NH2:80])[cH:78][cH:79]2)[CH2:71][CH2:72]1.[Cl:40][c:41]1[cH:42][cH:43][c:44](-[c:47]2[n:48][c:49]3[c:50]([n:51]2[CH:52]([C:53](=[O:54])[OH:55])[CH:56]2[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]2)[cH:62][cH:63][cH:64][cH:65]3)[cH:45][cH:46]1>>[Cl:40][c:41]1[cH:42][cH:43][c:44](-[c:47]2[n:48][c:49]3[c:50]([n:51]2[CH:52]([C:53](=[O:55])[NH:80][c:77]2[c:76]([F:81])[cH:75][c:74]([O:73][C:70]4([C:68]([O:67][CH3:66])=[O:69])[CH2:71][CH2:72]4)[cH:79][cH:78]2)[CH:56]2[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]2)[cH:62][cH:63][cH:64][cH:65]3)[cH:45][cH:46]1

Participants

4

Reactant 3

HCID 671311211-(4-Amino-3-fluoro-phenoxy)-cyclopropanecarboxylic acid methyl esterHCID 686454934-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-benzoic acid ethyl esterHCID 68645792[2-(4-Chloro-phenyl)-benzoimidazol-1-yl]-cyclohexyl-acetic acid

Product 1

HCID 686455691-(4-{2-[2-(4-Chloro-phenyl)-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-3-fluoro-phenoxy)-cyclopropanecarboxylic acid methyl ester

Sources & evidence

ORD record
ord-283512d4269948e9a72baa674a2e8fa5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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