Bicarbonate Ion → HCID 57505677, compound

HRID 687960Notes

Reaction equation

HRID 687960 reaction equation
[C:140]([O:141][CH2:142][CH3:143])(=[O:144])[CH3:145].[CH3:146][C:147]([OH:148])([CH3:149])[CH3:150].[CH3:68][C:69]([CH3:70])([O-:71])[CH3:72].[CH:34]1([P:35]([CH:36]2[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2-[c:48]2[c:49]([CH:50]([CH3:51])[CH3:52])[cH:53][c:54]([CH:55]([CH3:56])[CH3:57])[cH:58][c:59]2[CH:60]([CH3:61])[CH3:62])[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]1.[I:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[cH:8][c:9]([NH:11][C:12](=[O:13])[CH:14]1[CH2:15][CH2:16]1)[n:10]2.[K+:73].[NH2:17][c:18]1[cH:19][c:20]([NH:24][C:25](=[O:26])[c:27]2[cH:28][c:29]([CH3:33])[n:30][n:31]2[CH3:32])[cH:21][cH:22][cH:23]1.[Na+:74].[O:117]=[C:118]([CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1)[CH:127]=[CH:128][c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1.[O:135]1[CH2:136][CH2:137][CH2:138][CH2:139]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[O:99]=[C:100]([CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1)[CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1.[OH:75][C:76](=[O:77])[O-:78].[Pd:79].[Pd:80]>>[c:2]1([NH:17][c:18]2[cH:19][c:20]([NH:24][C:25](=[O:26])[c:27]3[cH:28][c:29]([CH3:33])[n:30][n:31]3[CH3:32])[cH:21][cH:22][cH:23]2)[cH:3][cH:4][c:5]2[n:6]([n:7]1)[cH:8][c:9]([NH:11][C:12](=[O:13])[CH:14]1[CH2:15][CH2:16]1)[n:10]2

Participants

13

Reactant 12

HCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ionHCID 6386tert-ButanolHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 45749132-Methylpropan-2-olateHCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 57386058N-(6-iodoimidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamideHCID 57441034HCID 57441034, compound

Product 1

HCID 57505677HCID 57505677, compound

Sources & evidence

ORD record
ord-5e8539c33d9849709293c13d9fefea94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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