Sodium ion → 3-[4-Amino-5-(2-benzyl-2H-indazol-6-yl)-pyrrolo[2,1-f][1,2,4]triazin-7-ylmethyl]-pyrrolidine-1-carboxylic acid tert-butyl ester

HRID 165671Notes

Reaction equation

HRID 165671 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:13][c:14]2[cH:15][c:16]([Br:24])[c:17]3[c:18]([NH2:23])[n:19][cH:20][n:21][n:22]23)[CH2:11][CH2:12]1.[C:50](=[O:51])([O-:52])[O-:53].[CH2:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[n:32]1[n:33][c:34]2[cH:35][c:36]([B:41]3[O:42][C:43]([CH3:44])([CH3:45])[C:46]([CH3:47])([CH3:48])[O:49]3)[cH:37][cH:38][c:39]2[cH:40]1.[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[Na+:54].[Na+:55].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[cH:67]1[cH:68][cH:69][c:70]([P:71]([Pd:72]([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[P:111]([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)([c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[c:136]2[cH:137][cH:138][cH:139][cH:140][cH:141]2)[cH:142][cH:143]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:13][c:14]2[cH:15][c:16](-[c:36]3[cH:35][c:34]4[n:33][n:32]([CH2:25][c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[cH:40][c:39]4[cH:38][cH:37]3)[c:17]3[c:18]([NH2:23])[n:19][cH:20][n:21][n:22]23)[CH2:11][CH2:12]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 585293132-benzyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-IndazoleHCID 585295713-(4-Amino-5-bromo-pyrrolo[2,1-f][1,2,4]triazin-7-ylmethyl)-pyrrolidine-1-carboxylic acid tert-butyl esterHCID 178420554HCID 178420554, compound

Product 1

HCID 585297003-[4-Amino-5-(2-benzyl-2H-indazol-6-yl)-pyrrolo[2,1-f][1,2,4]triazin-7-ylmethyl]-pyrrolidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-0364041071f84e2b843d55835e1332cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…