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Hydrochloric Acid → 1-{[3-(3-Chloro-4-methoxyphenyl)isoxazol-4-yl]carbonyl}-3-(5-methylpyridin-2-yl)pyrrolidin-3-ol

HRID 111897
Notes
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Reaction equation

HRID 111897 reaction equation
[B-:27]([F:28])([F:29])([F:30])[F:31].[CH2:18]([N:19]([CH:20]([CH3:21])[CH3:22])[CH:23]([CH3:24])[CH3:25])[CH3:26].[CH3:51][c:52]1[cH:53][cH:54][c:55]([C:58]2([OH:63])[CH2:59][NH:60][CH2:61][CH2:62]2)[n:56][cH:57]1.[Cl:1][c:2]1[cH:3][c:4](-[c:10]2[n:11][o:12][cH:13][c:14]2[C:15](=[O:16])[OH:17])[cH:5][cH:6][c:7]1[O:8][CH3:9].[ClH:49].[ClH:50].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:10]2[n:11][o:12][cH:13][c:14]2[C:15](=[O:17])[N:60]2[CH2:59][C:58]([c:55]3[cH:54][cH:53][c:52]([CH3:51])[cH:57][n:56]3)([OH:63])[CH2:62][CH2:61]2)[cH:5][cH:6][c:7]1[O:8][CH3:9]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 591701453-(3-Chloro-4-methoxyphenyl)-isoxazole-4-carboxylic acid
HCID 59170224
3-(5-Methyl-2-pyridinyl)pyrrolidin-3-ol

Product 1

HCID 591701761-{[3-(3-Chloro-4-methoxyphenyl)isoxazol-4-yl]carbonyl}-3-(5-methylpyridin-2-yl)pyrrolidin-3-ol

Sources & evidence

ORD record
ord-c708dc175f4e462a925532785dde8a49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes