Methanol → HCID 15950088, compound

HRID 2148884Notes

Reaction equation

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

Participants

Reactant 10

HCID 11776Triphenylphosphine

HCID 19660Carbonate Ion

HCID 23938Palladium2×

HCID 95417Dibenzylidene acetone3×

HCID 2795193(Pyrimidin-5-yl)boronic acid

HCID 59772744HCID 59772744, compound

Product 1

HCID 15950088HCID 15950088, compound

Sources & evidence

ORD record: ord-a58f942e47dc485cbcfcd807ca99e2ea
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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