Di-tert-butyl azodicarboxylate → 4-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-ethoxy}-3,5-dimethyl-benzoic acid methyl ester

HRID 287594Notes

Reaction equation

HRID 287594 reaction equation
[CH3:35][O:36][C:37]([c:38]1[cH:39][c:40]([CH3:46])[c:41]([OH:45])[c:42]([CH3:44])[cH:43]1)=[O:47].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH:13]([CH2:14][O:15][CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2)[cH:29][c:30]([F:34])[c:31]([F:33])[cH:32]3)[cH:6][cH:7]1.[N:48]([C:49]([O:50][C:51]([CH3:52])([CH3:53])[CH3:54])=[O:55])=[N:56][C:57]([O:58][C:59]([CH3:60])([CH3:61])[CH3:62])=[O:63]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH:13]([CH2:14][O:45][c:41]2[c:40]([CH3:46])[cH:39][c:38]([C:37]([O:36][CH3:35])=[O:47])[cH:43][c:42]2[CH3:44])[CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2)[cH:29][c:30]([F:34])[c:31]([F:33])[cH:32]3)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 97268Di-tert-butyl azodicarboxylateHCID 12389264Methyl 4-hydroxy-3,5-dimethylbenzoateHCID 666192022-(4-Chloro-phenyl)-1-(1-cyclohexyl-2-cyclohexylmethoxy-ethyl)-5,6-difluoro-1H-benzoimidazole

Product 1

HCID 666196104-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-ethoxy}-3,5-dimethyl-benzoic acid methyl ester

Sources & evidence

ORD record
ord-28be329662ed4938a57b70692a39f494
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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