Bicarbonate Ion → HCID 57505773, compound
Reaction equation
[CH3:139][c:140]1[cH:141][cH:142][cH:143][cH:144][cH:145]1.[CH3:72][C:73]([CH3:74])([O-:75])[CH3:76].[CH:38]1([P:39]([CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2-[c:52]2[c:53]([CH:54]([CH3:55])[CH3:56])[cH:57][c:58]([CH:59]([CH3:60])[CH3:61])[cH:62][c:63]2[CH:64]([CH3:65])[CH3:66])[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]1.[I:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[NH2:1][c:2]1[n:3][c:4]2[n:5]([n:6][c:7]([O:10][c:11]3[cH:12][c:13]([NH:17][C:18]([c:19]4[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]4)=[O:29])[cH:14][cH:15][cH:16]3)[cH:8][cH:9]2)[cH:30]1.[Na+:77].[Na+:78].[O:103]=[C:104]([CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1)[CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1.[O:121]=[C:122]([CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1)[CH:131]=[CH:132][c:133]1[cH:134][cH:135][cH:136][cH:137][cH:138]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[OH:79][C:80](=[O:81])[O-:82].[Pd:83].[Pd:84]>>[NH:1]([c:2]1[n:3][c:4]2[n:5]([n:6][c:7]([O:10][c:11]3[cH:12][c:13]([NH:17][C:18]([c:19]4[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]4)=[O:29])[cH:14][cH:15][cH:16]3)[cH:8][cH:9]2)[cH:30]1)[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1Participants
10
Reactant 9
HCID 769Bicarbonate Ion
HCID 923Sodium ion2×
HCID 1140Toluene
HCID 11575Iodobenzene
HCID 23938Palladium2×
HCID 95417Dibenzylidene acetone3×
HCID 45749132-Methylpropan-2-olate
HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl
HCID 57385788N-{3-[(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy]phenyl}-3-(trifluoromethyl)benzamideProduct 1
Sources & evidence
- ORD record
- ord-d8ae500f2414437589c201bacaefb65c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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