Sodium ion → HCID 72297350, compound

HRID 1221699Notes

Reaction equation

HRID 1221699 reaction equation
[CH3:29][C:30]([CH3:31])([O-:32])[CH3:33].[CH3:73][O:74][C:75]([c:76]1[cH:77][cH:78][c:79]([I:82])[cH:80][cH:81]1)=[O:83].[CH3:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2-[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[N:21]([CH3:22])[CH3:23])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1.[Cl:91][CH2:92][Cl:93].[F:35][C:36]([c:37]1[cH:38][c:39]([CH2:40][N:41]([CH:42]2[c:43]3[c:44]([cH:49][c:50]([C:54]([F:55])([F:56])[F:57])[c:51]([CH3:53])[cH:52]3)[NH:45][CH2:46][CH2:47][CH2:48]2)[c:58]2[n:59][n:60][n:61]([CH3:63])[n:62]2)[cH:64][c:65]([C:67]([F:68])([F:69])[F:70])[cH:66]1)([F:71])[F:72].[Na+:34].[O:114]=[C:115]([CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1)[CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[O:132]=[C:133]([CH:134]=[CH:135][c:136]1[cH:137][cH:138][cH:139][cH:140][cH:141]1)[CH:142]=[CH:143][c:144]1[cH:145][cH:146][cH:147][cH:148][cH:149]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[Pd:94].[Pd:95]>>[F:35][C:36]([c:37]1[cH:38][c:39]([CH2:40][N:41]([CH:42]2[c:43]3[c:44]([cH:49][c:50]([C:54]([F:55])([F:56])[F:57])[c:51]([CH3:53])[cH:52]3)[N:45]([c:79]3[cH:78][cH:77][c:76]([C:75]([O:74][CH3:73])=[O:83])[cH:81][cH:80]3)[CH2:46][CH2:47][CH2:48]2)[c:58]2[n:59][n:60][n:61]([CH3:63])[n:62]2)[cH:64][c:65]([C:67]([F:68])([F:69])[F:70])[cH:66]1)([F:71])[F:72]

Participants

10

Reactant 9

HCID 923Sodium ionHCID 1140TolueneHCID 6344DichloromethaneHCID 23938Palladium2×HCID 69273Methyl 4-iodobenzoateHCID 95417Dibenzylidene acetone3×HCID 27342172-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenylHCID 45749132-Methylpropan-2-olateHCID 72297395N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-7-methyl-N-(2-methyltetrazol-5-yl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine

Product 1

HCID 72297350HCID 72297350, compound

Sources & evidence

ORD record
ord-c91576537f1a47018b666669e4dfe59c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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