Sodium ion → {3-[4-Amino-5-(2-benzyl-2H-indazol-6-yl)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-benzyl}-carbamic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][c:9]1[cH:10][c:11](-[c:15]2[cH:16][c:17]([Br:25])[c:18]3[c:19]([NH2:24])[n:20][cH:21][n:22][n:23]23)[cH:12][cH:13][cH:14]1)=[O:26].[C:52](=[O:53])([O-:54])[O-:55].[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[n:34]1[n:35][c:36]2[cH:37][c:38]([B:43]3[O:44][C:45]([CH3:46])([CH3:47])[C:48]([CH3:49])([CH3:50])[O:51]3)[cH:39][cH:40][c:41]2[cH:42]1.[Na+:56].[Na+:57].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[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>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][c:9]1[cH:10][c:11](-[c:15]2[cH:16][c:17](-[c:38]3[cH:37][c:36]4[n:35][n:34]([CH2:27][c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)[cH:42][c:41]4[cH:40][cH:39]3)[c:18]3[c:19]([NH2:24])[n:20][cH:21][n:22][n:23]23)[cH:12][cH:13][cH:14]1)=[O:26]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-15d6fe5cfe3345e4a1729e43a0c9b576
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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