HCID 12048026, compound → HCID 12048029, compound

HRID 187456Notes

Reaction equation

HRID 187456 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:24])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[cH:13]1)=[O:25].[C:26]([CH3:28])([CH3:29])([O:30][C:31](=[O:27])[CH2:32][C:33]([c:34]1[cH:35][c:36](-[n:40]2[n:41][n:42][cH:43][c:44]2[CH2:45][O:46][CH:47]2[O:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[cH:37][cH:38][cH:39]1)=[O:53])[CH3:54]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:24][C:31](=[O:30])[CH2:32][C:33]([c:34]2[cH:35][c:36](-[n:40]3[n:41][n:42][cH:43][c:44]3[CH2:45][O:46][CH:47]3[O:48][CH2:49][CH2:50][CH2:51][CH2:52]3)[cH:37][cH:38][cH:39]2)=[O:53])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[cH:13]1)=[O:25]

Participants

3

Reactant 2

HCID 12048026HCID 12048026, compoundHCID 12048028(RS)-3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionic acid tert-butyl ester

Product 1

HCID 12048029HCID 12048029, compound

Sources & evidence

ORD record
ord-b0a9e3775b994c19b12c6ffd043d96cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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