Hydrochloric Acid → Hydrochloric Acid

HRID 690658Notes

Reaction equation

HRID 690658 reaction equation
[BH:28]([OH:29])[OH:30].[C:22](=[O:23])([O-:24])[O-:25].[C:31]([CH3:32])(=[O:33])[NH:34][CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:43][N:44]([CH3:45])[C:46](=[O:47])[CH3:48].[CH3:49][C:50]#[N:51].[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:42].[K+:26].[K+:27].[OH2:129].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[ClH:1].[c:2]1(-[c:39]2[cH:38][cH:37][c:36]([CH2:35][NH:34][C:31]([CH3:32])=[O:33])[cH:41][cH:40]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

12

Reactant 10

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 11500N-BenzylacetamideHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 61668Boronic AcidHCID 594382163'-chloro-4-(1,5-dimethyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinylHCID 178420554HCID 178420554, compound

Product 2

HCID 313Hydrochloric AcidHCID 25169584HCID 25169584, compound

Sources & evidence

ORD record
ord-811b1ed101ed4e0f82873759a08bd209
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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