p-Fluorotoluene-alpha-thiol → S-(4-Fluorobenzyl) 2-(1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}piperidin-4-yl)-1,3-thiazole-4-carbothioate

HRID 2310896Notes

Reaction equation

HRID 2310896 reaction equation
[CH3:1][c:2]1[cH:3][c:4]([C:24]([F:25])([F:26])[F:27])[n:5][n:6]1[CH2:7][C:8](=[O:9])[N:10]1[CH2:11][CH2:12][CH:13]([c:16]2[s:17][cH:18][c:19]([C:21](=[O:22])[OH:23])[n:20]2)[CH2:14][CH2:15]1.[CH3:28][c:29]1[n:30]([CH2:31][C:32]([N:33]2[CH2:34][CH2:35][CH:36]([c:37]3[s:38][cH:39][c:40]([C:41]([O:42][c:43]4[c:44]5[c:45]([cH:46][cH:47][cH:48][cH:49]5)[cH:50][cH:51][cH:52]4)=[O:53])[n:54]3)[CH2:55][CH2:56]2)=[O:57])[n:58][c:59]([C:60]([F:61])([F:62])[F:63])[cH:64]1.[F:65][c:66]1[cH:67][cH:68][c:69]([CH2:72][SH:73])[cH:70][cH:71]1>>[CH3:1][c:2]1[cH:3][c:4]([C:24]([F:25])([F:26])[F:27])[n:5][n:6]1[CH2:7][C:8](=[O:9])[N:10]1[CH2:11][CH2:12][CH:13]([c:16]2[s:17][cH:18][c:19]([C:21](=[O:23])[S:73][CH2:72][c:69]3[cH:68][cH:67][c:66]([F:65])[cH:71][cH:70]3)[n:20]2)[CH2:14][CH2:15]1

Participants

4

Reactant 3

HCID 85171p-Fluorotoluene-alpha-thiolHCID 666014572-[1-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-4-piperidinyl]-4-thiazolecarboxylic acidHCID 66911555Naphthalen-1-yl 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate

Product 1

HCID 86652911S-(4-Fluorobenzyl) 2-(1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}piperidin-4-yl)-1,3-thiazole-4-carbothioate

Sources & evidence

ORD record
ord-cea40ae2383c41328bb932ce3e4eb623
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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