(RS)-3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionic acid tert-butyl ester → (RS)-[4-Chloro-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 2131461Notes

Reaction equation

HRID 2131461 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:20])[cH:10][c:11]([Cl:19])[c:12]([N:14]([CH3:15])[CH:16]([CH3:17])[CH3:18])[cH:13]1)=[O:21].[C:22]([CH3:24])([CH3:25])([O:26][C:27](=[O:23])[CH2:28][C:29]([c:30]1[cH:31][c:32](-[n:36]2[n:37][n:38][cH:39][c:40]2[CH2:41][O:42][CH:43]2[O:44][CH2:45][CH2:46][CH2:47][CH2:48]2)[cH:33][cH:34][cH:35]1)=[O:49])[CH3:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:20][C:27](=[O:26])[CH2:28][C:29]([c:30]2[cH:31][c:32](-[n:36]3[n:37][n:38][cH:39][c:40]3[CH2:41][O:42][CH:43]3[O:44][CH2:45][CH2:46][CH2:47][CH2:48]3)[cH:33][cH:34][cH:35]2)=[O:49])[cH:10][c:11]([Cl:19])[c:12]([N:14]([CH3:15])[CH:16]([CH3:17])[CH3:18])[cH:13]1)=[O:21]

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 69489477Carbamic acid,[2-amino-4-chloro-5-[methyl(1-methylethyl)amino]phenyl]-,1,1-dimethylethyl ester

Product 1

HCID 86586868(RS)-[4-Chloro-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-21f833c721ae46b782bfe42a41f98d04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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