4-(Dimethylamino)pyridine → 1-(4-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-3-fluoro-phenoxy)-cyclopropanecarboxylic acid methyl ester

HRID 1221778Notes

Reaction equation

HRID 1221778 reaction equation
[CH2:1]([O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([NH:9][C:12]([CH:13]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[n:20]2[c:21](-[c:31]3[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]3)[n:22][c:23]3[c:24]2[cH:25][c:26]([F:30])[c:27]([F:29])[cH:28]3)=[O:38])[cH:10][cH:11]1)[CH3:39].[CH3:68][O:69][C:70](=[O:71])[C:72]1([O:75][c:76]2[cH:77][c:78]([F:83])[c:79]([NH2:82])[cH:80][cH:81]2)[CH2:73][CH2:74]1.[CH3:84][N:85]([CH3:86])[c:87]1[cH:88][cH:89][n:90][cH:91][cH:92]1.[Cl:40][c:41]1[cH:42][cH:43][c:44](-[c:45]2[n:46]([CH:47]([CH:48]3[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]3)[C:54]([OH:55])=[O:56])[c:57]3[cH:58][c:59]([F:60])[c:61]([F:62])[cH:63][c:64]3[n:65]2)[cH:66][cH:67]1>>[C:12]([CH:13]([CH:14]1[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1)[n:20]1[c:21](-[c:31]2[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]2)[n:22][c:23]2[c:24]1[cH:25][c:26]([F:30])[c:27]([F:29])[cH:28]2)(=[O:38])[NH:82][c:79]1[c:78]([F:83])[cH:77][c:76]([O:75][C:72]2([C:70]([O:69][CH3:68])=[O:71])[CH2:73][CH2:74]2)[cH:81][cH:80]1

Participants

5

Reactant 4

HCID 142844-(Dimethylamino)pyridineHCID 66619321[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-cyclohexyl-acetic acidHCID 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 ester

Product 1

HCID 686454821-(4-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-3-fluoro-phenoxy)-cyclopropanecarboxylic acid methyl ester

Sources & evidence

ORD record
ord-5726391a4f7c4f679678941d788362ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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