Hydrochloric Acid → HCID 136085249, compound

HRID 189648Notes

Reaction equation

HRID 189648 reaction equation
[Br:1][c:2]1[c:3]2[cH:4][n:5][n:6](-[c:12]3[cH:13][c:14]([F:26])[c:15]([O:18][CH2:19][c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[cH:16][cH:17]3)[c:7]2[cH:8][c:9]([F:11])[cH:10]1.[CH3:29][C:30]([P:31]([C:32]([CH3:33])([CH3:34])[CH3:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][c:41]1-[c:42]1[c:43]([CH:44]([CH3:45])[CH3:46])[cH:47][c:48]([CH:49]([CH3:50])[CH3:51])[cH:52][c:53]1[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[ClH:59].[K+:28].[O:111]=[C:112]([CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1)[CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1.[O:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[O:75]=[C:76]([CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1)[CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[O:93]=[C:94]([CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1)[CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[OH-:27].[OH2:66].[Pd:73].[Pd:74]>>[c:2]1([OH:27])[c:3]2[cH:4][n:5][n:6](-[c:12]3[cH:13][c:14]([F:26])[c:15]([O:18][CH2:19][c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[cH:16][cH:17]3)[c:7]2[cH:8][c:9]([F:11])[cH:10]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 11618717Di-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphaneHCID 59272968HCID 59272968, compound

Product 1

HCID 136085249HCID 136085249, compound

Sources & evidence

ORD record
ord-14bf93ab99b54b359d6c5e342c1dafc4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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