Trifluoroacetic acid → 4-(2-Amino-2-phenyl-acetyl)-morpholine-3-carboxylic acid {4-[3-(5-chloro-2-hydroxy-phenyl)-1-methyl-1H-pyrazol-4-ylethynyl]-phenyl}-amide

HRID 702422Notes

Reaction equation

[C:1]([O:2][C:3](=[O:4])[NH:7][CH:8]([C:9](=[O:10])[N:11]1[CH:12]([C:17]([NH:18][c:19]2[cH:20][cH:21][c:22]([C:25]#[C:26][c:27]3[c:28](-[c:33]4[c:34]([OH:40])[cH:35][cH:36][c:37]([Cl:39])[cH:38]4)[n:29][n:30]([CH3:32])[cH:31]3)[cH:23][cH:24]2)=[O:41])[CH2:13][O:14][CH2:15][CH2:16]1)[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)([CH3:5])([CH3:6])[CH3:48].[F:49][C:50]([F:51])([F:52])[C:53]([OH:54])=[O:55]>>[NH2:7][CH:8]([C:9](=[O:10])[N:11]1[CH:12]([C:17]([NH:18][c:19]2[cH:20][cH:21][c:22]([C:25]#[C:26][c:27]3[c:28](-[c:33]4[c:34]([OH:40])[cH:35][cH:36][c:37]([Cl:39])[cH:38]4)[n:29][n:30]([CH3:32])[cH:31]3)[cH:23][cH:24]2)=[O:41])[CH2:13][O:14][CH2:15][CH2:16]1)[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1

Participants

Reactant 2

HCID 6422Trifluoroacetic acid

HCID 136346688[2-(3-{4-[3-(5-Chloro-2-hydroxy-phenyl)-1-methyl-1H-pyrazol-4-ylethynyl]-phenylcarbamoyl}-morpholin-4-yl)-2-oxo-1-phenyl-ethyl]-carbamic acid tert-butyl ester

Product 1

HCID 1363466894-(2-Amino-2-phenyl-acetyl)-morpholine-3-carboxylic acid {4-[3-(5-chloro-2-hydroxy-phenyl)-1-methyl-1H-pyrazol-4-ylethynyl]-phenyl}-amide

Sources & evidence

ORD record: ord-0aff3fb5b4474be6be16119034094479
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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