Hydrochloric Acid → Hydrochloric Acid

HRID 1214515Notes

Reaction equation

HRID 1214515 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]([CH2:27][OH:28])[cH:25][cH:26]3)[CH2:13][CH2:14]2)[c:6]1[CH3:7].[CH3:31][N:32]([C:33](=[O:34])[Cl:35])[CH3:36].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[CH3:43][C:44]#[N:45].[ClH:37].[H-:29].[Na+:30].[OH2:46]>>[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]([CH2:27][O:28][C:33]([N:32]([CH3:31])[CH3:36])=[O:34])[cH:25][cH:26]3)[CH2:13][CH2:14]2)[c:6]1[CH3:7].[ClH:35]

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 6598Dimethylcarbamoyl ChlorideHCID 166653HydrideHCID 59321924{4-[4-(1,5-dimethyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl-3'-yl]-phenyl}-methanol

Product 2

HCID 313Hydrochloric AcidHCID 59321904[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl N,N-dimethylcarbamate

Sources & evidence

ORD record
ord-a167e3c08e6c46e28074971b2f8293af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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