Hydrochloric Acid → Hydrochloric Acid

HRID 682901Notes

Reaction equation

HRID 682901 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].[CH2:22]([CH3:23])[n:24]1[n:25][c:26]([CH3:32])[c:27]([CH:30]=[O:31])[c:28]1[CH3:29].[CH3:55][C:56]#[N:57].[Cl:58][CH2:59][Cl:60].[ClH:1].[ClH:2].[ClH:49].[F:3][c:4]1[cH:5][cH:6][c:7](-[c:10]2[c:11]([N:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[n:12][cH:13][cH:14][n:15]2)[cH:8][cH:9]1.[Na+:46].[Na+:48].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH-:47]>>[ClH:1].[F:3][c:4]1[cH:5][cH:6][c:7](-[c:10]2[c:11]([N:16]3[CH2:17][CH2:18][N:19]([CH2:30][c:27]4[c:26]([CH3:32])[n:25][n:24]([CH2:22][CH3:23])[c:28]4[CH3:29])[CH2:20][CH2:21]3)[n:12][cH:13][cH:14][n:15]2)[cH:8][cH:9]1

Participants

11

Reactant 9

HCID 313Hydrochloric Acid3×HCID 923Sodium ion2×HCID 961HydroxideHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 31574611-Ethyl-3,5-dimethyl-1H-pyrazole-4-carbaldehydeHCID 673669592-(4-Fluorophenyl)-3-(piperazin-1-yl)pyrazine

Product 2

HCID 313Hydrochloric AcidHCID 593220192-[4-[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine

Sources & evidence

ORD record
ord-26710a5cd3624b58a3e4a42b2d71c6a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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