(RS)-3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionic acid tert-butyl ester → (RS)-[4-Cyano-5-(isopropyl-methyl-amino)-2-(3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionylamino)-phenyl]-carbamic acid tert-butyl ester

HRID 297800Notes

Reaction equation

HRID 297800 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:21])[cH:10][c:11]([C:19]#[N:20])[c:12]([N:14]([CH3:15])[CH:16]([CH3:17])[CH3:18])[cH:13]1)=[O:22].[C:23]([CH3:25])([CH3:26])([O:27][C:28](=[O:24])[CH2:29][C:30]([c:31]1[cH:32][c:33](-[n:37]2[n:38][n:39][cH:40][c:41]2[CH2:42][O:43][CH:44]2[O:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[cH:34][cH:35][cH:36]1)=[O:50])[CH3:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:21][C:28](=[O:27])[CH2:29][C:30]([c:31]2[cH:32][c:33](-[n:37]3[n:38][n:39][cH:40][c:41]3[CH2:42][O:43][CH:44]3[O:45][CH2:46][CH2:47][CH2:48][CH2:49]3)[cH:34][cH:35][cH:36]2)=[O:50])[cH:10][c:11]([C:19]#[N:20])[c:12]([N:14]([CH3:15])[CH:16]([CH3:17])[CH3:18])[cH:13]1)=[O:22]

Participants

3

Reactant 2

HCID 12048028(RS)-3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionic acid tert-butyl esterHCID 69688050Carbamic acid,[2-amino-4-cyano-5-[methyl(1-methylethyl)amino]phenyl]-,1,1-dimethylethyl ester

Product 1

HCID 86586879(RS)-[4-Cyano-5-(isopropyl-methyl-amino)-2-(3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionylamino)-phenyl]-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-11a1e9ab11414261bba49fc884bb6855
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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