Water → HCID 67521074, compound
Reaction equation
[Br:35][c:36]1[c:37]2[cH:38][c:39]([O:47][S:48]([C:49]([F:50])([F:51])[F:52])(=[O:53])=[O:54])[n:40][cH:41][c:42]2[c:43]([F:46])[cH:44][cH:45]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([NH2:34])[c:23]([B:25]4[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]4)[cH:24]3)[cH:18]2)[CH2:12][CH2:13]1.[C:55](=[O:56])([O-:57])[O-:58].[CH2:61]1[O:62][CH2:63][CH2:64][O:65][CH2:66]1.[Cs+:59].[Cs+:60].[OH2:67].[cH:68]1[cH:69][cH:70][c:71]([P:72]([Pd:73]([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[P:112]([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)([c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[c:137]2[cH:138][cH:139][cH:140][cH:141][cH:142]2)[cH:143][cH:144]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([NH2:34])[c:23](-[c:39]4[cH:38][c:37]5[c:36]([Br:35])[cH:45][cH:44][c:43]([F:46])[c:42]5[cH:41][n:40]4)[cH:24]3)[cH:18]2)[CH2:12][CH2:13]1Participants
8
Reactant 7
HCID 962Water
HCID 19660Carbonate Ion
HCID 312751,4-Dioxane
HCID 104967Cesium cation2×
HCID 534879604-[4-[6-Amino-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylic acid tert-butyl ester
HCID 86633137Trifluoromethanesulfonic acid 5-bromo-8-fluoroisoquinolin-3-yl ester
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-2ef199f42ffb44219fd61104026131fd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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