Hydrochloric Acid → (4-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-cyclohexyl)-acetic acid ethyl ester

HRID 2337914Notes

Reaction equation

HRID 2337914 reaction equation
[CH2:70]([CH3:71])[O:72][C:73]([CH2:74][CH:75]1[CH2:76][CH2:77][CH:78]([NH2:81])[CH2:79][CH2:80]1)=[O:82].[CH:1]1([CH:2]([n:3]2[c:4]3[cH:5][c:6]([F:7])[c:8]([F:9])[cH:10][c:11]3[n:12][c:13]2-[c:14]2[c:15]([O:16][CH3:17])[n:18][c:19]([O:20][CH3:21])[cH:22][cH:23]2)[C:24]([OH:25])=[O:26])[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]1.[Cl:32][c:33]1[cH:34][cH:35][c:36](-[c:39]2[n:40][c:41]3[c:42]([n:43]2[CH:44]([C:45](=[O:46])[OH:47])[CH:48]2[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]2)[cH:54][c:55]([F:59])[c:56]([F:58])[cH:57]3)[cH:37][cH:38]1.[ClH:60].[ClH:69].[NH2:61][CH:62]1[CH2:63][CH2:64][CH:65]([OH:66])[CH2:67][CH2:68]1>>[Cl:32][c:33]1[cH:34][cH:35][c:36](-[c:39]2[n:40][c:41]3[c:42]([n:43]2[CH:44]([C:45](=[O:46])[NH:81][CH:78]2[CH2:77][CH2:76][CH:75]([CH2:74][C:73]([O:72][CH2:70][CH3:71])=[O:82])[CH2:80][CH2:79]2)[CH:48]2[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]2)[cH:54][c:55]([F:59])[c:56]([F:58])[cH:57]3)[cH:37][cH:38]1

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 812934-AminocyclohexanolHCID 3573480Ethyl 2-(4-aminocyclohexyl)acetateHCID 66619285Cyclohexyl-[2-(2,6-dimethoxy-pyridin-3-yl)-5,6-difluoro-benzoimidazol-1-yl]-acetic acidHCID 66619321[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-cyclohexyl-acetic acid

Product 1

HCID 68645327(4-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-cyclohexyl)-acetic acid ethyl ester

Sources & evidence

ORD record
ord-633f199bb3e74f90af349ae604ca1352
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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