Water → 2-(1-((5-(2-Methylbenzofuran-3-yl)-7-morpholinothiazolo[5,4-d]pyrimidin-2-yl)methyl)piperidin-4-yl)propan-2-ol
Reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH3:28][c:29]1[o:30][c:31]2[c:32]([c:33]1[B:34]1[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]1)[cH:43][cH:44][cH:45][cH:46]2.[Cl:1][c:2]1[n:3][c:4]([N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[c:5]2[c:6]([n:7]1)[s:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][CH:15]([C:18]([CH3:19])([CH3:20])[OH:21])[CH2:16][CH2:17]1)[n:10]2.[Cs+:51].[Cs+:52].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[OH2:59].[Pd:60].[c:118]1([P:119]([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133][cH:134][cH:135][cH:136]1.[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1.[c:80]1([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[cH:94][cH:95][cH:96][cH:97][cH:98]1.[c:99]1([P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114][cH:115][cH:116][cH:117]1>>[c:2]1(-[c:33]2[c:29]([CH3:28])[o:30][c:31]3[c:32]2[cH:43][cH:44][cH:45][cH:46]3)[n:3][c:4]([N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[c:5]2[c:6]([n:7]1)[s:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][CH:15]([C:18]([CH3:19])([CH3:20])[OH:21])[CH2:16][CH2:17]1)[n:10]2Participants
9
Reactant 8
HCID 962Water
HCID 11776Triphenylphosphine4×
HCID 19660Carbonate Ion
HCID 23938Palladium
HCID 312751,4-Dioxane
HCID 104967Cesium cation2×
HCID 596055142-(1-((5-Chloro-7-morpholinothiazolo[5,4-d]pyrimidin-2-yl)methyl)piperidin-4-yl)propan-2-ol
HCID 673417654,4,5,5-Tetramethyl-2-(2-methylbenzofuran-3-yl)-1,3,2-dioxaborolaneProduct 1
Sources & evidence
- ORD record
- ord-11b24f61240749f0a884788737e2e3b0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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