Water → tert-butyl 3-((5-(3-(2-(tert-butyldimethylsilyloxy)ethylcarbamoyl)-1H-pyrrol-1-yl)-2-(5-cyanopyrazin-2-ylamino)pyridin-4-ylamino)methyl)piperidine-1-carboxylate

HRID 305556Notes

Reaction equation

HRID 305556 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:14][NH:15][c:16]2[c:17](-[n:31]3[cH:32][c:33]([C:36](=[O:37])[OH:38])[cH:34][cH:35]3)[cH:18][n:19][c:20]([NH:22][c:23]3[n:24][cH:25][c:26]([C:29]#[N:30])[n:27][cH:28]3)[cH:21]2)[CH2:11][CH2:12][CH2:13]1.[C:39]([CH3:40])([CH3:41])([CH3:42])[Si:43]([O:44][CH2:45][CH2:46][NH2:47])([CH3:48])[CH3:49].[CH2:50]([N:51]([CH:52]([CH3:53])[CH3:54])[CH:55]([CH3:56])[CH3:57])[CH3:58].[CH3:70][N:71]([CH3:72])[CH2:73][CH2:74][CH2:75][N:76]=[C:77]=[N:78][CH2:79][CH3:80].[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[OH2:59].[OH:60][n:61]1[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:14][NH:15][c:16]2[c:17](-[n:31]3[cH:32][c:33]([C:36](=[O:38])[NH:47][CH2:46][CH2:45][O:44][Si:43]([C:39]([CH3:40])([CH3:41])[CH3:42])([CH3:48])[CH3:49])[cH:34][cH:35]3)[cH:18][n:19][c:20]([NH:22][c:23]3[n:24][cH:25][c:26]([C:29]#[N:30])[n:27][cH:28]3)[cH:21]2)[CH2:11][CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 529218(2-Aminoethoxy)(tert-butyl)dimethylsilaneHCID 667465061-(4-((1-(tert-Butoxycarbonyl)piperidin-3-yl)methylamino)-6-(5-cyanopyrazin-2-ylamino)pyridin-3-yl)-1H-pyrrole-3-carboxylic acid

Product 1

HCID 66745676tert-butyl 3-((5-(3-(2-(tert-butyldimethylsilyloxy)ethylcarbamoyl)-1H-pyrrol-1-yl)-2-(5-cyanopyrazin-2-ylamino)pyridin-4-ylamino)methyl)piperidine-1-carboxylate

Sources & evidence

ORD record
ord-0f7fbb8cef0d4c2394ccd71993711a36
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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