Ethanol → 1-(1-{3-[3-(4-Bromo-phenyl)-5-methanesulfonyl-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-2-hydroxy-propyl}-piperidin-4-yl)-6-chloro-1,3-dihydro-benzoimidazol-2-one

HRID 1549815Notes

Reaction equation

HRID 1549815 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:21][CH:22]3[O:23][CH2:24]3)[c:11]3[c:12]2[CH2:13][N:14]([S:17](=[O:18])(=[O:19])[CH3:20])[CH2:15][CH2:16]3)[cH:6][cH:7]1.[CH3:42][CH2:43][OH:44].[Cl:25][c:26]1[cH:27][cH:28][c:29]2[c:30]([n:31]([CH:35]3[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]3)[c:32](=[O:34])[nH:33]2)[cH:41]1>>[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:21][CH:22]([OH:23])[CH2:24][N:38]3[CH2:37][CH2:36][CH:35]([n:31]4[c:30]5[c:29]([cH:28][cH:27][c:26]([Cl:25])[cH:41]5)[nH:33][c:32]4=[O:34])[CH2:40][CH2:39]3)[c:11]3[c:12]2[CH2:13][N:14]([S:17](=[O:18])(=[O:19])[CH3:20])[CH2:15][CH2:16]3)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 702EthanolHCID 137921086-Chloro-1-piperidin-4-yl-1,3-dihydro-benzoimidazol-2-oneHCID 222937413-(4-bromo-phenyl)-5-methanesulfonyl-1-oxiranylmethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

Product 1

HCID 102118161-(1-{3-[3-(4-Bromo-phenyl)-5-methanesulfonyl-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-2-hydroxy-propyl}-piperidin-4-yl)-6-chloro-1,3-dihydro-benzoimidazol-2-one

Sources & evidence

ORD record
ord-75006e209e81420daa74fcd1618d277a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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