Hydrochloric Acid → 2-cyclohexyl-2-[5-fluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]-N-(4-hydroxycyclohexyl)acetamide

HRID 94440

Reaction equation

HRID 94440 reaction equation
[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH:1]1([CH:7]([C:8](=[O:9])[OH:10])[n:11]2[c:12]([CH:21]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[O:28][CH3:29])[n:13][c:14]3[c:15]2[cH:16][cH:17][c:18]([F:20])[cH:19]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[ClH:61].[NH2:62][CH:63]1[CH2:64][CH2:65][CH:66]([OH:69])[CH2:67][CH2:68]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[CH:1]1([CH:7]([C:8](=[O:9])[NH:62][CH:63]2[CH2:64][CH2:65][CH:66]([OH:69])[CH2:67][CH2:68]2)[n:11]2[c:12]([CH:21]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[O:28][CH3:29])[n:13][c:14]3[c:15]2[cH:16][cH:17][c:18]([F:20])[cH:19]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 812934-AminocyclohexanolHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 668103982-Cyclohexyl-2-[5-fluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]acetic acid

Product 1

HCID 673724032-cyclohexyl-2-[5-fluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]-N-(4-hydroxycyclohexyl)acetamide

Sources & evidence

ORD record
ord-2f02852eca8347879bc84f07a95efc78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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