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Water → 1-[4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-propoxy]-3-methoxyphenyl]-2,2,2-trifluoroethanone

HRID 135111
Notes
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Reaction equation

HRID 135111 reaction equation
[CH3:36][C:37]#[N:38].[Cl:17][CH2:18][CH2:19][CH2:20][O:21][c:22]1[c:23]([O:34][CH3:35])[cH:24][c:25]([C:28]([C:29]([F:30])([F:31])[F:32])=[O:33])[cH:26][cH:27]1.[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]3)[n:7][o:8]2)[cH:15][cH:16]1.[OH2:39]>>[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][N:12]([CH2:18][CH2:19][CH2:20][O:21][c:22]4[c:23]([O:34][CH3:35])[cH:24][c:25]([C:28]([C:29]([F:30])([F:31])[F:32])=[O:33])[cH:26][cH:27]4)[CH2:13][CH2:14]3)[n:7][o:8]2)[cH:15][cH:16]1
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 962WaterHCID 6342AcetonitrileHCID 8494213-(4-Piperidyl)-6-fluoro-1,2-benzisoxazoleHCID 100174981-[4-(3-Chloropropoxy)-3-methoxyphenyl]-2,2,2-trifluoroethanone

Product 1

HCID 104352741-[4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-propoxy]-3-methoxyphenyl]-2,2,2-trifluoroethanone

Sources & evidence

ORD record
ord-cb8fa925fc2243698aca9983de0005d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes