Dichloromethane → Morpholine-3-carboxylic acid {4-[3-(5-chloro-2-hydroxy-phenyl)-1-methyl-1H-pyrazol-4-ylethynyl]-phenyl}-amide

HRID 1240826Notes

Reaction equation

HRID 1240826 reaction equation
[C:34]([O:35][C:36](=[O:37])[N:41]1[CH:42]([C:47]([NH:48][c:49]2[cH:50][cH:51][c:52]([C:55]#[C:56][c:57]3[c:58](-[c:63]4[c:64]([OH:70])[cH:65][cH:66][c:67]([Cl:69])[cH:68]4)[n:59][n:60]([CH3:62])[cH:61]3)[cH:53][cH:54]2)=[O:71])[CH2:43][O:44][CH2:45][CH2:46]1)([CH3:38])([CH3:39])[CH3:40].[CH2:79]([Cl:80])[Cl:81].[Cl:1][c:2]1[cH:3][cH:4][c:5]([OH:6])[c:7](-[c:8]2[c:9]([C:10]#[C:11][c:12]3[cH:13][cH:14][c:15]([NH:16][C:17]([CH:18]4[CH2:19][CH2:20][CH2:21][CH2:22][NH:23]4)=[O:24])[cH:25][cH:26]3)[cH:27][n:28]([CH2:29][CH2:30][OH:31])[n:32]2)[cH:33]1.[F:72][C:73]([F:74])([F:75])[C:76]([OH:77])=[O:78]>>[NH:41]1[CH:42]([C:47]([NH:48][c:49]2[cH:50][cH:51][c:52]([C:55]#[C:56][c:57]3[c:58](-[c:63]4[c:64]([OH:70])[cH:65][cH:66][c:67]([Cl:69])[cH:68]4)[n:59][n:60]([CH3:62])[cH:61]3)[cH:53][cH:54]2)=[O:71])[CH2:43][O:44][CH2:45][CH2:46]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 1363466873-{4-[3-(5-Chloro-2-hydroxy-phenyl)-1-methyl-1H-pyrazol-4-ylethynyl]-phenylcarbamoyl}-morpholine-4-carboxylic acid tert-butyl esterHCID 136600265N-[4-[2-[3-(5-chloro-2-hydroxyphenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]ethynyl]phenyl]piperidine-2-carboxamide

Product 1

HCID 136346686Morpholine-3-carboxylic acid {4-[3-(5-chloro-2-hydroxy-phenyl)-1-methyl-1H-pyrazol-4-ylethynyl]-phenyl}-amide

Sources & evidence

ORD record
ord-f4c2a151afd14777b9857e680000346d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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