Ammonium → Tert-butyl 5-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethoxy]indol-2-yl]indazole-1-carboxylate

HRID 2314291Notes

Reaction equation

HRID 2314291 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[n:9][c:10](-[c:25]2[n:26]([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[c:27]3[cH:28][cH:29][c:30]([O:34][CH2:35][CH2:36][N:37]4[CH2:38][CH2:39][N:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:41][CH2:42]4)[cH:31][c:32]3[cH:33]2)[c:11]2[cH:12][c:13]([O:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:14][cH:15][c:16]12.[CH3:61][CH2:62][OH:63].[CH:57]([O-:58])=[O:59].[NH4+:60].[Pd:64]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[n:9][c:10](-[c:25]2[n:26]([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[c:27]3[cH:28][cH:29][c:30]([O:34][CH2:35][CH2:36][N:37]4[CH2:38][CH2:39][N:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:41][CH2:42]4)[cH:31][c:32]3[cH:33]2)[c:11]2[cH:12][c:13]([OH:17])[cH:14][cH:15][c:16]12

Participants

6

Reactant 5

HCID 223AmmoniumHCID 283FormateHCID 702EthanolHCID 23938PalladiumHCID 575624995-benzyloxy-3-{1-tert-butoxycarbonyl-5-[2-(4-tert-butoxycarbonylpiperazin-1-yl)ethoxy]-1H-indol-2-yl}indazole-1-carboxylic acid tert-butyl ester

Product 1

HCID 57562467Tert-butyl 5-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethoxy]indol-2-yl]indazole-1-carboxylate

Sources & evidence

ORD record
ord-da7ee0e57ae34faa9b69c6d8d943d35b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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