Hydrochloric Acid → Hydrochloric Acid

HRID 178465Notes

Reaction equation

HRID 178465 reaction equation
[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[C:47](=[O:48])([OH:49])[O-:50].[CH3:24][n:25]1[n:26][c:27]([CH3:32])[c:28]([CH:30]=[O:31])[cH:29]1.[CH3:3][O:4][CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[c:13]([N:18]3[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]3)[n:14][cH:15][cH:16][n:17]2)[cH:10][cH:11]1.[ClH:1].[ClH:2].[Na+:46].[Na+:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[CH3:3][O:4][CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[c:13]([N:18]3[CH2:19][CH2:20][N:21]([CH2:30][c:28]4[c:27]([CH3:32])[n:26][n:25]([CH3:24])[cH:29]4)[CH2:22][CH2:23]3)[n:14][cH:15][cH:16][n:17]2)[cH:10][cH:11]1.[ClH:1]

Participants

9

Reactant 7

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 8028TetrahydrofuranHCID 8472851,3-dimethyl-1H-pyrazole-4-carbaldehydeHCID 2724942TriacetoxyborohydrideHCID 673675443'-(4-Methoxymethyl-phenyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl

Product 2

HCID 313Hydrochloric AcidHCID 593218082-[4-[(1,3-Dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)phenyl]pyrazine

Sources & evidence

ORD record
ord-8747a17524ae4a28aebbfc2a93c6d80e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…