Hydrochloric Acid → Hydrochloric Acid

HRID 1569794Notes

Reaction equation

HRID 1569794 reaction equation
[C:22](=[O:23])([O-:24])[O-:25].[CH3:42][N:43]([CH3:44])[C:45](=[O:46])[CH3:47].[CH3:48][C:49]#[N:50].[Cl:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[cH:16][n:17][n:18]([CH3:21])[c:19]3[CH3:20])[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1.[ClH:41].[K+:26].[K+:27].[OH2:51].[OH:28][CH2:29][CH2:30][CH2:31][c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1>>[ClH:1].[c:2]1(-[c:35]2[cH:34][cH:33][c:32]([CH2:31][CH2:30][CH2:29][OH:28])[cH:37][cH:36]2)[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[cH:16][n:17][n:18]([CH3:21])[c:19]3[CH3:20])[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 51513424-(3-Hydroxypropyl)Benzeneboronic AcidHCID 594382163'-chloro-4-(1,5-dimethyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl

Product 2

HCID 313Hydrochloric AcidHCID 59321846HCID 59321846, compound

Sources & evidence

ORD record
ord-29cf1df647784927971e5f99df61712d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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