Hydrochloric Acid → HCID 59340101, compound

HRID 318375Notes

Reaction equation

HRID 318375 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([OH:22])[c:7]([C:14](=[O:15])[NH:16][CH2:17][C:18](=[O:19])[O:20][CH3:21])[c:8](=[O:13])[n:9]([CH3:12])[c:10]2[cH:11]1.[C:33](=[O:34])([O-:35])[O-:36].[CH3:23][c:24]1[n:25][o:26][c:27]([CH3:32])[c:28]1[B:29]([OH:30])[OH:31].[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[Cl:123][CH:124]([Cl:125])[Cl:126].[ClH:39].[Na+:37].[Na+:38].[O:127]=[CH:128][N:129]([CH3:130])[CH3:131].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([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)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([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)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([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)[cH:121][cH:122]1>>[c:2]1(-[c:28]2[c:24]([CH3:23])[n:25][o:26][c:27]2[CH3:32])[cH:3][cH:4][c:5]2[c:6]([OH:22])[c:7]([C:14](=[O:15])[NH:16][CH2:17][C:18](=[O:19])[O:20][CH3:21])[c:8](=[O:13])[n:9]([CH3:12])[c:10]2[cH:11]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 6212ChloroformHCID 6228DimethylformamideHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 27343463,5-Dimethylisoxazole-4-boronic acidHCID 54681697Methyl 2-(7-bromo-4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxamido)acetateHCID 178420554HCID 178420554, compound

Product 1

HCID 59340101HCID 59340101, compound

Sources & evidence

ORD record
ord-977f788389b94c77a900b9f52d4af955
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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