Sodium ion → tert-butyl 3-[4-amino-5-(2-benzyl-2H-indazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-hydroxypiperidine-1-carboxylate

HRID 285362Notes

Reaction equation

HRID 285362 reaction equation
[C:51](=[O:52])([O-:53])[O-:54].[CH2:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[n:33]1[n:34][c:35]2[cH:36][c:37]([B:42]3[O:43][C:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[O:50]3)[cH:38][cH:39][c:40]2[cH:41]1.[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8]([Br:25])[cH:9][c:10]2[C:11]1([OH:24])[CH2:12][N:13]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:14][CH2:15][CH2:16]1.[Na+:55].[Na+:56].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH2:57].[cH:63]1[cH:64][cH:65][c:66]([P:67]([Pd:68]([P:69]([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)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([P:88]([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)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[P:107]([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)[c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[cH:138][cH:139]1>>[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:37]1[cH:36][c:35]3[n:34][n:33]([CH2:26][c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[cH:41][c:40]3[cH:39][cH:38]1)[cH:9][c:10]2[C:11]1([OH:24])[CH2:12][N:13]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:14][CH2:15][CH2:16]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 585293132-benzyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-IndazoleHCID 58529580Tert-butyl 3-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxypiperidine-1-carboxylateHCID 178420554HCID 178420554, compound

Product 1

HCID 58529683tert-butyl 3-[4-amino-5-(2-benzyl-2H-indazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-hydroxypiperidine-1-carboxylate

Sources & evidence

ORD record
ord-8df729c2fdb64fbc896cc397ff5e05ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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