Hydrochloric Acid → HCID 123859675, compound

HRID 138197Notes

Reaction equation

HRID 138197 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([S:7](=[O:8])(=[O:9])[N:10]2[CH2:11][CH:12]([CH3:32])[N:13]([c:16]3[n:17][cH:18][c:19]([C:22]([C:23]([F:24])([F:25])[F:26])([C:27]([F:28])([F:29])[F:30])[OH:31])[cH:20][n:21]3)[CH2:14][CH2:15]2)[s:6]1.[CH2:124]1[O:125][CH2:126][CH2:127][CH2:128]1.[CH3:129][c:130]1[cH:131][cH:132][cH:133][cH:134][cH:135]1.[CH3:47][C:48]([CH3:49])([O-:50])[CH3:51].[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61].[ClH:53].[Na+:52].[Na+:55].[O:106]=[C:107]([CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1)[CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[O:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[O:70]=[C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[OH-:54].[Pd:68].[Pd:69].[c:33]1([C:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:41]2)=[NH:40])[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[c:2]1([NH2:40])[cH:3][cH:4][c:5]([S:7](=[O:8])(=[O:9])[N:10]2[CH2:11][CH:12]([CH3:32])[N:13]([c:16]3[n:17][cH:18][c:19]([C:22]([C:23]([F:24])([F:25])[F:26])([C:27]([F:28])([F:29])[F:30])[OH:31])[cH:20][n:21]3)[CH2:14][CH2:15]2)[s:6]1

Participants

13

Reactant 12

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 1140TolueneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 136809Benzophenone imineHCID 45749132-Methylpropan-2-olateHCID 178430992HCID 178430992, compound

Product 1

HCID 123859675HCID 123859675, compound

Sources & evidence

ORD record
ord-c29215cf5ee14d8c92ac76dcba0abd7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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