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Hydrochloric Acid → Hydrochloric Acid

HRID 2322356
Notes
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Reaction equation

HRID 2322356 reaction equation
[CH3:1][n:2]1[n:3][cH:4][c:5]([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([c:15]3[n:16][cH:17][cH:18][n:19][c:20]3-[c:21]3[cH:22][cH:23][c:24]([OH:27])[cH:25][cH:26]3)[CH2:13][CH2:14]2)[c:6]1[CH3:7].[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[CH3:41][C:42]#[N:43].[Cl:30][CH2:31][C:32](=[O:33])[NH2:34].[ClH:35].[H-:28].[Na+:29].[OH2:44]>>[CH3:1][n:2]1[n:3][cH:4][c:5]([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([c:15]3[n:16][cH:17][cH:18][n:19][c:20]3-[c:21]3[cH:22][cH:23][c:24]([O:27][CH2:31][C:32](=[O:33])[NH2:34])[cH:25][cH:26]3)[CH2:13][CH2:14]2)[c:6]1[CH3:7].[ClH:30]
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 6580ChloroacetamideHCID 166653Hydride
HCID 136351520
4-[4-(1,5-dimethyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl-3'-yl]-phenol

Product 2

HCID 313Hydrochloric AcidHCID 593217852-[4-[3-[4-[(1,5-Dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenoxy]acetamide

Sources & evidence

ORD record
ord-8e6ffecbeed94513b2f5242bc74b400d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes