Carbonate Ion → HCID 69491645, compound

HRID 2135446Notes

Reaction equation

HRID 2135446 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH3:1][CH:2]1[N:3]([S:9](=[O:10])(=[O:11])[NH2:12])[CH2:4][CH:5]([CH3:8])[NH:6][CH2:7]1.[CH:13]1([P:14]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2-[c:27]2[c:28]([CH:29]([CH3:30])[CH3:31])[cH:32][c:33]([CH:34]([CH3:35])[CH3:36])[cH:37][c:38]2[CH:39]([CH3:40])[CH3:41])[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[Cl:53][c:54]1[n:55][c:56]([S:62][CH2:63][c:64]2[c:65]([F:71])[c:66]([F:70])[cH:67][cH:68][cH:69]2)[n:57][c:58]([O:60][CH3:61])[cH:59]1.[Cs+:51].[Cs+:52].[O:116]=[C:117]([CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1)[CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1.[O:72]1[CH2:73][CH2:74][O:75][CH2:76][CH2:77]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.[Pd:78].[Pd:79]>>[CH3:1][CH:2]1[N:3]([S:9](=[O:10])(=[O:11])[NH:12][c:54]2[n:55][c:56]([S:62][CH2:63][c:64]3[c:65]([F:71])[c:66]([F:70])[cH:67][cH:68][cH:69]3)[n:57][c:58]([O:60][CH3:61])[cH:59]2)[CH2:4][CH:5]([CH3:8])[NH:6][CH2:7]1

Participants

9

Reactant 8

HCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 69493011HCID 69493011, compoundHCID 866198774-Chloro-2-([(2,3-difluorophenyl)methyl]thio]-6-methoxypyrimidine

Product 1

HCID 69491645HCID 69491645, compound

Sources & evidence

ORD record
ord-8c9bb734409d42c4b7ce929326242125
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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