Ethanol → 1-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one

HRID 1541289Notes

Reaction equation

HRID 1541289 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][c:7]2[c:8]([n:11]([CH2:24][CH:25]3[O:26][CH2:27]3)[n:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[CH2:9][CH2:10]1.[CH3:28][n:29]1[c:30](=[O:44])[n:31]([CH:38]2[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2)[c:32]2[c:33]1[cH:34][cH:35][cH:36][cH:37]2.[CH3:45][CH2:46][OH:47].[Cl:48][CH:49]([Cl:50])[CH3:51]>>[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][c:7]2[c:8]([n:11]([CH2:24][CH:25]([OH:26])[CH2:27][N:41]3[CH2:40][CH2:39][CH:38]([n:31]4[c:30](=[O:44])[n:29]([CH3:28])[c:33]5[c:32]4[cH:37][cH:36][cH:35][cH:34]5)[CH2:43][CH2:42]3)[n:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[CH2:9][CH2:10]1

Participants

5

Reactant 4

HCID 702EthanolHCID 63651,1-DichloroethaneHCID 120720315-methanesulfonyl-1-oxiranylmethyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridineHCID 149244491-Methyl-3-(piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one

Product 1

HCID 103047411-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one

Sources & evidence

ORD record
ord-c058c8f7cb794286bd1ed7bfd4c30433
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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