Hydrochloric Acid → Hydrochloric Acid

HRID 689017Notes

Reaction equation

HRID 689017 reaction equation
[BH:28]([OH:29])[OH:30].[C:22](=[O:23])([O-:24])[O-:25].[CH3:46][N:47]([CH3:48])[C:49](=[O:50])[CH3:51].[CH3:52][C:53]#[N:54].[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:45].[K+:26].[K+:27].[OH2:132].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1.[s:31]1[c:32]([CH2:36][O:37][CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:33][cH:34][cH:35]1>>[ClH:1].[c:2]1(-[c:42]2[cH:41][cH:40][c:39]([CH2:38][O:37][CH2:36][c:32]3[s:31][cH:35][cH:34][cH:33]3)[cH:44][cH:43]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 19660Carbonate IonHCID 31374DimethylacetamideHCID 61668Boronic AcidHCID 15355060HCID 15355060, compoundHCID 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 59322056HCID 59322056, compound

Sources & evidence

ORD record
ord-6e7da6081f744a978d1e251d1f71b8b1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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