Hydrochloric Acid → Nelociguat

HRID 2142453Notes

Reaction equation

HRID 2142453 reaction equation
[Cl:30][C:31](=[O:32])[O:33][CH3:34].[ClH:1].[ClH:2].[ClH:3].[F:4][c:5]1[c:6]([CH2:7][n:8]2[n:9][c:10](-[c:17]3[n:18][c:19]([NH2:25])[c:20]([NH2:24])[c:21]([NH2:23])[n:22]3)[c:11]3[c:12]2[n:13][cH:14][cH:15][cH:16]3)[cH:26][cH:27][cH:28][cH:29]1.[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[F:4][c:5]1[c:6]([CH2:7][n:8]2[n:9][c:10](-[c:17]3[n:18][c:19]([NH2:25])[c:20]([NH:24][C:31](=[O:32])[O:33][CH3:34])[c:21]([NH2:23])[n:22]3)[c:11]3[c:12]2[n:13][cH:14][cH:15][cH:16]3)[cH:26][cH:27][cH:28][cH:29]1

Participants

5

Reactant 4

HCID 313Hydrochloric Acid3×HCID 1049PyridineHCID 6586Methyl chloroformateHCID 113939732-(1-((2-Fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4,5,6-pyrimidinetriamine

Product 1

HCID 11690019Nelociguat

Sources & evidence

ORD record
ord-f00fa1809b2743a38d64fe615f4aa80a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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