Hydrochloric Acid → Hydrochloric Acid

HRID 2154464Notes

Reaction equation

HRID 2154464 reaction equation
[BH:28]([OH:29])[OH:30].[C:22](=[O:23])([O-:24])[O-:25].[C:31]([CH3:32])([CH3:33])([CH3:34])[O:35][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:44][N:45]([CH3:46])[C:47](=[O:48])[CH3:49].[CH3:50][C:51]#[N:52].[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:43].[K+:26].[K+:27].[OH2:130].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[ClH:1].[c:2]1(-[c:40]2[cH:39][cH:38][c:37]([CH2:36][O:35][C:31]([CH3:32])([CH3:33])[CH3:34])[cH:42][cH:41]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 561155Benzyln-butyletherHCID 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 59321928HCID 59321928, compound

Sources & evidence

ORD record
ord-8e065664633e4df0a503355c58b3b4d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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