Ethanol → HCID 68784936, compound

HRID 1540984Notes

Reaction equation

HRID 1540984 reaction equation
[C:7](=[CH2:8])([CH3:9])[B:10]([OH:11])[OH:12].[CH3:135][CH2:136][OH:137].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Cl:13][c:14]1[n:15][cH:16][cH:17][c:18]([N:20]2[CH2:21][CH2:22][CH:23]([CH2:26][NH:27][C:28]([c:29]3[cH:30][cH:31][c:32](-[c:35]4[o:36][c:37]5[c:38]([n:39]4)[cH:40][c:41]([C:47]#[N:48])[cH:42][c:43]5[CH:44]([CH3:45])[CH3:46])[cH:33][cH:34]3)=[O:49])[CH2:24][CH2:25]2)[n:19]1.[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:50].[Pd:134].[c:115]1([P:116]([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130][cH:131][cH:132][cH:133]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[cH:91][cH:92][cH:93][cH:94][cH:95]1.[c:96]1([P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111][cH:112][cH:113][cH:114]1>>[C:7](=[CH2:8])([CH3:9])[c:14]1[n:15][cH:16][cH:17][c:18]([N:20]2[CH2:21][CH2:22][CH:23]([CH2:26][NH:27][C:28]([c:29]3[cH:30][cH:31][c:32](-[c:35]4[o:36][c:37]5[c:38]([n:39]4)[cH:40][c:41]([C:47]#[N:48])[cH:42][c:43]5[CH:44]([CH3:45])[CH3:46])[cH:33][cH:34]3)=[O:49])[CH2:24][CH2:25]2)[n:19]1

Participants

10

Reactant 9

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 11776Triphenylphosphine4×HCID 19660Carbonate IonHCID 23938PalladiumHCID 10855372(Prop-1-en-2-yl)boronic acidHCID 25169790N-{[1-(2-Chloropyrimidin-4-yl)piperidin-4-yl]methyl}-4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzamide

Product 1

HCID 68784936HCID 68784936, compound

Sources & evidence

ORD record
ord-8bd26061bd354957a9986ca326f86626
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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