Ammonium → HCID 67106507, compound

HRID 1234832Notes

Reaction equation

HRID 1234832 reaction equation
[C:49](=[O:50])([O-:51])[O-:52].[CH:102](=[CH:103][C:104]([CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1)=[O:113])[c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1.[CH:120](=[CH:121][C:122]([CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1)=[O:131])[c:132]1[cH:133][cH:134][cH:135][cH:136][cH:137]1.[CH:15]1([P:16]([CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2-[c:29]2[c:30]([CH:31]([CH3:32])[CH3:33])[cH:34][c:35]([CH:36]([CH3:37])[CH3:38])[cH:39][c:40]2[CH:41]([CH3:42])[CH3:43])[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1.[CH:84](=[CH:85][C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)=[O:95])[c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[Cl-:74].[Cl:55][c:56]1[n:57][c:58]([S:64][CH2:65][c:66]2[c:67]([F:73])[c:68]([F:72])[cH:69][cH:70][cH:71]2)[n:59][c:60]([O:62][CH3:63])[cH:61]1.[Cs+:53].[Cs+:54].[NH4+:75].[O:1]1[CH2:2][CH2:3][O:4][C:5]12[CH2:6][CH2:7][N:8]([S:11](=[O:12])(=[O:13])[NH2:14])[CH2:9][CH2:10]2.[O:76]1[CH2:77][CH2:78][O:79][CH2:80][CH2:81]1.[Pd:82].[Pd:83]>>[O:1]1[CH2:2][CH2:3][O:4][C:5]12[CH2:6][CH2:7][N:8]([S:11](=[O:12])(=[O:13])[NH:14][c:56]1[n:57][c:58]([S:64][CH2:65][c:66]3[c:67]([F:73])[c:68]([F:72])[cH:69][cH:70][cH:71]3)[n:59][c:60]([O:62][CH3:63])[cH:61]1)[CH2:9][CH2:10]2

Participants

11

Reactant 10

HCID 223AmmoniumHCID 312ChlorideHCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 20782267HCID 20782267, compoundHCID 866198774-Chloro-2-([(2,3-difluorophenyl)methyl]thio]-6-methoxypyrimidine

Product 1

HCID 67106507HCID 67106507, compound

Sources & evidence

ORD record
ord-becaebbe57484e83802ebaa24c22c8e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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