Hydrochloric Acid → HCID 67442098, compound

HRID 1221858Notes

Reaction equation

HRID 1221858 reaction equation
[CH2:116]1[O:117][CH2:118][CH2:119][O:120][CH2:121]1.[CH3:47][C:48]([CH3:49])([O-:50])[CH3:51].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl:7][c:8]1[n:9][c:10]2[cH:11][cH:12][c:13]([O:24][CH3:25])[cH:14][c:15]2[c:16]([N:18]2[CH2:19][CH2:20][O:21][CH2:22][CH2:23]2)[cH:17]1.[ClH:26].[NH2:1][N:2]1[CH2:3][CH2:4][CH2:5][CH2:6]1.[NH2:27][CH:28]1[CH2:29][N:30]([C:33]([CH2:34][c:35]2[cH:36][cH:37][c:38]([O:41][C:42]([F:43])([F:44])[F:45])[cH:39][cH:40]2)=[O:46])[CH2:31][CH2:32]1.[Na+:52].[O:62]=[C:63]([CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[O:98]=[C:99]([CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1)[CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1.[OH2:59].[Pd:60].[Pd:61]>>[c:8]1([NH:27][CH:28]2[CH2:29][N:30]([C:33]([CH2:34][c:35]3[cH:36][cH:37][c:38]([O:41][C:42]([F:43])([F:44])[F:45])[cH:39][cH:40]3)=[O:46])[CH2:31][CH2:32]2)[n:9][c:10]2[cH:11][cH:12][c:13]([O:24][CH3:25])[cH:14][c:15]2[c:16]([N:18]2[CH2:19][CH2:20][O:21][CH2:22][CH2:23]2)[cH:17]1

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 23938Palladium2×HCID 279461-PyrrolidinamineHCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 45749132-Methylpropan-2-olateHCID 57970122HCID 57970122, compoundHCID 674442381-(3-Aminopyrrolidin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone

Product 1

HCID 67442098HCID 67442098, compound

Sources & evidence

ORD record
ord-affc908e4d674bc4a510827b8ab5dce0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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