Sodium ion → HCID 46216421, compound
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([O:14][CH3:15])[c:5](-[n:8]2[cH:9][n:10][c:11]([CH3:13])[cH:12]2)[cH:6][cH:7]1.[CH:143]([Cl:144])([Cl:145])[Cl:146].[F:16][c:17]1[cH:18][cH:19][c:20]([CH2:21][n:22]2[n:23][c:24]([NH2:27])[cH:25][cH:26]2)[cH:28][cH:29]1.[Na+:37].[O-:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[O:107]=[C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)[CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1.[O:125]=[C:126]([CH:127]=[CH:128][c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1)[CH:135]=[CH:136][c:137]1[cH:138][cH:139][cH:140][cH:141][cH:142]1.[O:80]1[CH2:81][CH2:82][O:83][CH2:84][CH2:85]1.[O:89]=[C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)[CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[OH2:86].[Pd:87].[Pd:88].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[c:47]3[c:71]([cH:72][cH:73][cH:74]2)[C:68]([CH3:69])([CH3:70])[c:50]2[c:49]([c:54]([P:55]([c:56]4[cH:57][cH:58][cH:59][cH:60][cH:61]4)[c:62]4[cH:63][cH:64][cH:65][cH:66][cH:67]4)[cH:53][cH:52][cH:51]2)[O:48]3)[cH:75][cH:76][cH:77][cH:78][cH:79]1>>[c:2]1([NH:27][c:24]2[n:23][n:22]([CH2:21][c:20]3[cH:19][cH:18][c:17]([F:16])[cH:29][cH:28]3)[cH:26][cH:25]2)[cH:3][c:4]([O:14][CH3:15])[c:5](-[n:8]2[cH:9][n:10][c:11]([CH3:13])[cH:12]2)[cH:6][cH:7]1Participants
11
Reactant 10
HCID 923Sodium ion
HCID 962Water
HCID 6212Chloroform
HCID 23938Palladium2×
HCID 312751,4-Dioxane
HCID 95417Dibenzylidene acetone3×
HCID 119047Phenolate
HCID 5732811-[(4-fluorophenyl)methyl]pyrazol-3-amine
HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
HCID 534156611-(4-bromo-2-methoxyphenyl)-4-methyl-1H-imidazoleProduct 1
Sources & evidence
- ORD record
- ord-f2e373002b944983a30c44a80b295c91
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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