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Bicarbonate Ion → 4-[3-[4-(6-Fluoro-1,2-benzisothiazol-3-yl)-1-piperidinyl]propoxy]-3-hydroxyphenyl ethanone

HRID 190049
Notes
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Reaction equation

HRID 190049 reaction equation
[CH3:37][C:38]#[N:39].[Cl:17][CH2:18][CH2:19][CH2:20][O:21][c:22]1[c:23]([OH:31])[cH:24][c:25]([C:28]([CH3:29])=[O:30])[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][s:8]2)[cH:15][cH:16]1.[Na+:36].[O-:32][C:33]([OH:34])=[O:35].[OH2:40]>>[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]([OH:31])[cH:24][c:25]([C:28]([CH3:29])=[O:30])[cH:26][cH:27]4)[CH2:13][CH2:14]3)[n:7][s:8]2)[cH:15][cH:16]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 6342AcetonitrileHCID 103765071-(4-(3-Chloropropoxy)-3-hydroxyphenyl]ethanoneHCID 185049766-Fluoro-3-(4-piperidinyl)-1,2-benzisothiazole

Product 1

HCID 21960012
4-[3-[4-(6-Fluoro-1,2-benzisothiazol-3-yl)-1-piperidinyl]propoxy]-3-hydroxyphenyl ethanone

Sources & evidence

ORD record
ord-c25f932a494042368f1f5e4f7406aca2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes