Ethanol → 3-[1-[3-[5-acetyl-3-(4-chloro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-hydroxypropyl]piperidin-4-yl]-5-chloro-1H-benzimidazol-2-one

HRID 169891Notes

Reaction equation

HRID 169891 reaction equation
[CH3:42][CH2:43][OH:44].[Cl:1][c:2]1[c:3]([CH3:24])[cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:20][CH:21]3[O:22][CH2:23]3)[c:11]3[c:12]2[CH2:13][N:14]([C:17]([CH3:18])=[O:19])[CH2:15][CH2:16]3)[cH:6][cH:7]1.[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.[Cl:45][CH2:46][Cl:47]>>[Cl:1][c:2]1[c:3]([CH3:24])[cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:20][CH:21]([OH:22])[CH2:23][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]([C:17]([CH3:18])=[O:19])[CH2:15][CH2:16]3)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 702EthanolHCID 6344DichloromethaneHCID 137921086-Chloro-1-piperidin-4-yl-1,3-dihydro-benzoimidazol-2-oneHCID 222936051-[3-(4-Chloro-3-methyl-phenyl)-1-oxiranylmethyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone

Product 1

HCID 101675413-[1-[3-[5-acetyl-3-(4-chloro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-hydroxypropyl]piperidin-4-yl]-5-chloro-1H-benzimidazol-2-one

Sources & evidence

ORD record
ord-84f513d020134f52a7593752dce95f78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…