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Sodium Ion → 3-[3-(4-Butylpiperidin-1-yl)propyl]-1,3-benzothiazol-2-one

HRID 295264
Notes
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Reaction equation

HRID 295264 reaction equation
[CH2:32]([n:33]1[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[s:40][c:41]1=[O:42])[CH:43]=[CH2:44].[CH2:45]([CH2:46][CH2:47][CH3:48])[CH:49]1[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]1.[CH3:64][C:65]#[N:66].[Cl:13][CH2:14][CH2:15][CH2:16][I:17].[Cl:18][CH2:19][CH2:20][CH2:21][n:22]1[c:23](=[O:31])[s:24][c:25]2[c:26]1[cH:27][cH:28][cH:29][cH:30]2.[H-:11].[I-:56].[Na+:12].[Na+:55].[Na+:57].[Na+:58].[O-:59][C:60](=[O:61])[O-:62].[OH2:63].[s:1]1[c:2]2[cH:3][cH:4][cH:5][cH:6][c:7]2[nH:8][c:9]1=[O:10]>>[CH2:19]([CH2:20][CH2:21][n:22]1[c:23](=[O:31])[s:24][c:25]2[c:26]1[cH:27][cH:28][cH:29][cH:30]2)[N:52]1[CH2:51][CH2:50][CH:49]([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:54][CH2:53]1
ParticipantsSources & evidenceReaction notes

Participants

12

Reactant 11

HCID 923Sodium Ion4×HCID 962WaterHCID 6342AcetonitrileHCID 13625BenzothiazoloneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 813631-Chloro-3-iodopropane
HCID 166653
Hydride
HCID 28016923-Allyl-2,3-dihydro-1,3-benzothiazol-2-one
HCID 132838674-Butylpiperidine
HCID 219898853-(3-chloropropyl)benzo[d]thiazol-2(3H)-one

Product 1

HCID 219898623-[3-(4-Butylpiperidin-1-yl)propyl]-1,3-benzothiazol-2-one

Sources & evidence

ORD record
ord-314897502b904f3fb60e1ccf4a9ca792
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes