Hydrochloric Acid → HCID 54739225, compound

HRID 671386Notes

Reaction equation

HRID 671386 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][n:9]2[n:10][c:11]([CH:24]([CH3:25])[CH3:26])[c:12]([OH:23])[c:13]([C:16](=[O:17])[NH:18][CH2:19][C:20](=[O:21])[OH:22])[c:14]2=[O:15])[cH:6][cH:7]1.[C:40](=[O:41])([O-:42])[O-:43].[CH2:47]1[O:48][CH2:49][CH2:50][O:51][CH2:52]1.[ClH:46].[F:27][C:28]([c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1)([F:38])[F:39].[K+:44].[K+:45].[OH2:53].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[c:2]1(-[c:32]2[cH:31][cH:30][c:29]([C:28]([F:27])([F:38])[F:39])[cH:34][cH:33]2)[cH:3][cH:4][c:5]([CH2:8][n:9]2[n:10][c:11]([CH:24]([CH3:25])[CH3:26])[c:12]([OH:23])[c:13]([C:16](=[O:17])[NH:18][CH2:19][C:20](=[O:21])[OH:22])[c:14]2=[O:15])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27343894-(Trifluoromethyl)phenylboronic acidHCID 54739228N-{[2-[(4-Bromophenyl)methyl]-5-hydroxy-6-(1-methylethyl)-3-oxo-2,3-dihydro-4-pyridazinyl]carbonyl}glycineHCID 178420554HCID 178420554, compound

Product 1

HCID 54739225HCID 54739225, compound

Sources & evidence

ORD record
ord-f9afa2c2f41f497aa25bd6575763a650
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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