Hydrochloric Acid → 2-[6-(5-{1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)pyridin-3-yl]-2-hydroxyethyl N-(tert-butoxycarbonyl)glycinate

HRID 1220703Notes

Reaction equation

HRID 1220703 reaction equation
[C:36]([CH3:37])([CH3:38])([CH3:39])[O:40][C:41](=[O:42])[NH:43][CH2:44][C:45](=[O:46])[OH:47].[CH2:49]([N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58])[CH3:59].[CH3:70][N:71]1[CH2:72][CH2:73][O:74][CH2:75][CH2:76]1.[CH3:77][N:78]([CH3:79])[CH:80]=[O:81].[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[c:21]3[cH:22][cH:23][c:24](-[c:26]4[cH:27][cH:28][c:29]([CH:32]([CH2:33][OH:34])[OH:35])[cH:30][n:31]4)[nH:25]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1.[ClH:48].[OH:60][n:61]1[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[c:21]3[cH:22][cH:23][c:24](-[c:26]4[cH:27][cH:28][c:29]([CH:32]([CH2:33][O:34][C:45]([CH2:44][NH:43][C:41]([O:40][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:42])=[O:46])[OH:35])[cH:30][n:31]4)[nH:25]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 78288N-(tert-butoxycarbonyl)glycineHCID 251070761-[6-(5-{1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)pyridin-3-yl]ethane-1,2-diol

Product 1

HCID 593312182-[6-(5-{1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)pyridin-3-yl]-2-hydroxyethyl N-(tert-butoxycarbonyl)glycinate

Sources & evidence

ORD record
ord-e9a879bad4204701bc1ade1d8d921096
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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