Acetate → tert-butyl 2-[4-(2-amino-5-methylimidazol-1-yl)phenyl]-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate

HRID 164716Notes

Reaction equation

HRID 164716 reaction equation
[CH3:1][c:2]1[cH:3][n:4][c:5]([NH2:22])[n:6]1-[c:7]1[cH:8][cH:9][c:10]([B:13]2[O:14][C:15]([CH3:16])([CH3:17])[C:18]([CH3:19])([CH3:20])[O:21]2)[cH:11][cH:12]1.[CH3:24][C:25](=[O:26])[O-:27].[CH3:53][C:54]#[N:55].[Cl:28][c:29]1[n:30][c:31]([N:46]2[CH:47]([CH3:52])[CH2:48][O:49][CH2:50][CH2:51]2)[c:32]2[c:33]([n:34]1)[CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]2.[K+:23].[OH2:56].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([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]1>>[CH3:1][c:2]1[cH:3][n:4][c:5]([NH2:22])[n:6]1-[c:7]1[cH:8][cH:9][c:10](-[c:29]2[n:30][c:31]([N:46]3[CH:47]([CH3:52])[CH2:48][O:49][CH2:50][CH2:51]3)[c:32]3[c:33]([n:34]2)[CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]3)[cH:11][cH:12]1

Participants

8

Reactant 7

HCID 175AcetateHCID 813Potassium CationHCID 962WaterHCID 6342AcetonitrileHCID 671809445-Methyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-imidazol-2-amineHCID 72241098tert-butyl 2-chloro-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylateHCID 178420554HCID 178420554, compound

Product 1

HCID 67179698tert-butyl 2-[4-(2-amino-5-methylimidazol-1-yl)phenyl]-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate

Sources & evidence

ORD record
ord-f6cb73e73ec74523ac3751b72a27a243
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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