Hydrochloric Acid → 3-(6-(3,3-difluoroazetidin-1-yl)-8-oxo-9-(1-(pyridin-3-yl)ethyl)-8,9-dihydro-7H-purin-2-yl)-3H-benzo[d]imidazole-5-carbonitrile

HRID 174878

Reaction equation

HRID 174878 reaction equation
[Cl:1][c:2]1[c:3]2[nH:4][c:5](=[O:30])[n:6]([CH:22]([CH3:23])[c:24]3[cH:25][n:26][cH:27][cH:28][cH:29]3)[c:7]2[n:8][c:9](-[n:11]2[cH:12][n:13][c:14]3[c:15]2[cH:16][c:17]([C:20]#[N:21])[cH:18][cH:19]3)[n:10]1.[ClH:31].[F:32][C:33]1([F:37])[CH2:34][NH:35][CH2:36]1>>[c:2]1([N:35]2[CH2:34][C:33]([F:32])([F:37])[CH2:36]2)[c:3]2[nH:4][c:5](=[O:30])[n:6]([CH:22]([CH3:23])[c:24]3[cH:25][n:26][cH:27][cH:28][cH:29]3)[c:7]2[n:8][c:9](-[n:11]2[cH:12][n:13][c:14]3[c:15]2[cH:16][c:17]([C:20]#[N:21])[cH:18][cH:19]3)[n:10]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 27582483,3-DifluoroazetidineHCID 576127403-(6-chloro-8-oxo-9-(1-(pyridin-3-yl)ethyl)-8,9-dihydro-7H-purin-2-yl)-3H-benzo[d]imidazole-5-carbonitrile

Product 1

HCID 576126963-(6-(3,3-difluoroazetidin-1-yl)-8-oxo-9-(1-(pyridin-3-yl)ethyl)-8,9-dihydro-7H-purin-2-yl)-3H-benzo[d]imidazole-5-carbonitrile

Sources & evidence

ORD record
ord-0a8cb80b3ca74d63bd566296179f320c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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