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

HRID 2140801Notes

Reaction equation

HRID 2140801 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:23])[cH:10][c:11]([C:19]([F:20])([F:21])[F:22])[c:12]([N:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:13]1)=[O:24].[C:25]([CH3:27])([CH3:28])([O:29][C:30](=[O:26])[CH2:31][C:32]([c:33]1[cH:34][c:35](-[n:39]2[n:40][n:41][cH:42][c:43]2[CH2:44][O:45][CH:46]2[O:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[cH:36][cH:37][cH:38]1)=[O:52])[CH3:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:23][C:30](=[O:29])[CH2:31][C:32]([c:33]2[cH:34][c:35](-[n:39]3[n:40][n:41][cH:42][c:43]3[CH2:44][O:45][CH:46]3[O:47][CH2:48][CH2:49][CH2:50][CH2:51]3)[cH:36][cH:37][cH:38]2)=[O:52])[cH:10][c:11]([C:19]([F:20])([F:21])[F:22])[c:12]([N:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:13]1)=[O:24]

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 69489422(2-Amino-5-pyrrolidin-1-yl-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 86586911(RS)-[2-(3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionylamino)-5-pyrrolidin-1-yl-4-trifluoromethyl-phenyl]-carbamic acid tert.-butyl ester

Sources & evidence

ORD record
ord-b119965116024d8b8514d43fc40d4cd4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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