Methyl 6-aminonicotinate → 6-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-nicotinic acid methyl ester

HRID 202720Notes

Reaction equation

HRID 202720 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:6]2[n:7]([CH:8]([CH:9]3[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]3)[C:15]([NH:16][CH2:17][CH:18]3[CH2:19][CH2:20][CH:21]([C:22]([OH:23])=[O:24])[CH2:25][CH2:26]3)=[O:27])[c:28]3[cH:29][cH:30][c:31]([F:32])[cH:33][c:34]3[n:35]2)[cH:36][cH:37]1.[Cl:38][c:39]1[cH:40][cH:41][c:42](-[c:45]2[n:46][c:47]3[c:48]([n:49]2[CH:50]([C:51](=[O:52])[OH:53])[CH:54]2[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]2)[cH:60][c:61]([F:65])[c:62]([F:64])[cH:63]3)[cH:43][cH:44]1.[NH2:66][c:67]1[n:68][cH:69][c:70]([C:71](=[O:72])[O:73][CH3:74])[cH:75][cH:76]1>>[Cl:38][c:39]1[cH:40][cH:41][c:42](-[c:45]2[n:46][c:47]3[c:48]([n:49]2[CH:50]([C:51](=[O:52])[NH:66][c:67]2[n:68][cH:69][c:70]([C:71](=[O:72])[O:73][CH3:74])[cH:75][cH:76]2)[CH:54]2[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]2)[cH:60][c:61]([F:65])[c:62]([F:64])[cH:63]3)[cH:43][cH:44]1

Participants

4

Reactant 3

HCID 737487Methyl 6-aminonicotinateHCID 44198097(-)-trans-4-({2-[2-(4-Chloro-phenyl)-5-fluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-methyl)-cyclohexanecarboxylic acidHCID 66619321[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-cyclohexyl-acetic acid

Product 1

HCID 686452646-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-nicotinic acid methyl ester

Sources & evidence

ORD record
ord-1c7107707efe400aa88c62ad9f025297
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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