[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-cyclohexyl-acetic acid → 4-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-3-cyano-5-fluoro-benzoic acid methyl ester
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].[CH3:68][O:69][C:70]([c:71]1[cH:72][c:73]([C:79]#[N:80])[c:74]([NH2:78])[c:75]([F:77])[cH:76]1)=[O:81].[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][c:63]([F:67])[c:64]([F:66])[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:54])[NH:78][c:74]2[c:73]([C:79]#[N:80])[cH:72][c:71]([C:70]([O:69][CH3:68])=[O:81])[cH:76][c:75]2[F:77])[CH:56]2[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]2)[cH:62][c:63]([F:67])[c:64]([F:66])[cH:65]3)[cH:45][cH:46]1Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-c580ec136bab4a53a942d79b00fc5a17
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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