Di-tert-butyl azodicarboxylate → 6-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-ethoxy}-nicotinonitrile

HRID 1141277Notes

Reaction equation

HRID 1141277 reaction equation
[C:35](#[N:36])[c:37]1[cH:38][n:39][c:40]([OH:43])[cH:41][cH:42]1.[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:44]([C:45]([O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51])=[N:52][C:53]([O:54][C:55]([CH3:56])([CH3:57])[CH3:58])=[O:59]>>[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:43][c:40]2[n:39][cH:38][c:37]([C:35]#[N:36])[cH:42][cH:41]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

Participants

4

Reactant 3

HCID 97268Di-tert-butyl azodicarboxylateHCID 70621976-HydroxynicotinonitrileHCID 666192022-(4-Chloro-phenyl)-1-(1-cyclohexyl-2-cyclohexylmethoxy-ethyl)-5,6-difluoro-1H-benzoimidazole

Product 1

HCID 666192476-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-ethoxy}-nicotinonitrile

Sources & evidence

ORD record
ord-eed2fe59ad5a4bfdb27c7251e76b3168
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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