Hydrochloric Acid → Hydrochloric Acid

HRID 187780Notes

Reaction equation

HRID 187780 reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:38][c:39]1[n:40][n:41](-[c:47]2[n:48][cH:49][cH:50][cH:51][cH:52]2)[c:42]([CH3:46])[c:43]1[CH:44]=[O:45].[ClH:53].[N:15]1([c:21]2[n:22][cH:23][cH:24][n:25][c:26]2-[c:27]2[cH:28][cH:29][c:30]([CH2:31][NH:32][C:33]([CH3:34])=[O:35])[cH:36][cH:37]2)[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1.[Na+:14]>>[ClH:53].[N:15]1([c:21]2[n:22][cH:23][cH:24][n:25][c:26]2-[c:27]2[cH:28][cH:29][c:30]([CH2:31][NH:32][C:33]([CH3:34])=[O:35])[cH:36][cH:37]2)[CH2:16][CH2:17][N:18]([CH2:44][c:43]2[c:39]([CH3:38])[n:40][n:41](-[c:47]3[n:48][cH:49][cH:50][cH:51][cH:52]3)[c:42]2[CH3:46])[CH2:19][CH2:20]1

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 220544033,5-dimethyl-1-(pyridin-2-yl)-1H-pyrazole-4-carbaldehydeHCID 68595017N-[4-(3,4,5,6-Tetrahydro-2H-[1,2']bipyrazinyl-3'-yl)-benzyl]-acetamide

Product 2

HCID 313Hydrochloric AcidHCID 59322034N-[[4-[3-[4-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]acetamide

Sources & evidence

ORD record
ord-af9c448c258b49e5af625ab4cab8eb14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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