Sodium ion → HCID 76677494, compound

HRID 2339475Notes

Reaction equation

HRID 2339475 reaction equation
[CH2:110]1[O:111][CH2:112][CH2:113][O:114][CH2:115]1.[CH3:41][C:42]([CH3:43])([O-:44])[CH3:45].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl:7][c:8]1[n:9][c:10]([N:17]([CH3:18])[CH3:19])[c:11]2[c:12]([n:13]1)[cH:14][s:15][cH:16]2.[NH2:1][N:2]1[CH2:3][CH2:4][CH2:5][CH2:6]1.[NH2:20][CH:21]1[CH2:22][N:23]([C:27]([CH2:28][c:29]2[cH:30][cH:31][c:32]([O:35][C:36]([F:37])([F:38])[F:39])[cH:33][cH:34]2)=[O:40])[CH2:24][CH:25]1[OH:26].[Na+:46].[O:56]=[C:57]([CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[OH2:53].[Pd:54].[Pd:55]>>[c:8]1([NH:20][CH:21]2[CH2:22][N:23]([C:27]([CH2:28][c:29]3[cH:30][cH:31][c:32]([O:35][C:36]([F:37])([F:38])[F:39])[cH:33][cH:34]3)=[O:40])[CH2:24][CH:25]2[OH:26])[n:9][c:10]([N:17]([CH3:18])[CH3:19])[c:11]2[c:12]([n:13]1)[cH:14][s:15][cH:16]2

Participants

11

Reactant 10

HCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 23938Palladium2×HCID 279461-PyrrolidinamineHCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 45749132-Methylpropan-2-olateHCID 57970098HCID 57970098, compoundHCID 766774691-(3-Amino-4-hydroxypyrrolidin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone

Product 1

HCID 76677494HCID 76677494, compound

Sources & evidence

ORD record
ord-0e42a730204f492fa99bbb57c7c6f33d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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