Chloride → 5-(3-chloro-4-methylsulfonylphenyl)-6-(2,3-diphenyl-1,4-dioxaspiro[4.4]nonan-8-yl)-1-[5-(oxan-2-yloxymethyl)-1,3-thiazol-2-yl]hexane-1,4-dione

HRID 2332352Notes

Reaction equation

HRID 2332352 reaction equation
[CH2:65]([n+:66]1[c:67]([CH3:68])[c:69]([CH2:70][CH2:71][OH:72])[s:73][cH:74]1)[c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[CH3:61][CH2:62][OH:63].[CH3:81][CH2:82][O:83][C:84](=[O:85])[CH3:86].[Cl-:64].[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13]([CH:14]=[CH2:15])=[O:16])[CH2:17][CH:18]2[CH2:19][C:20]3([O:21][CH:22]([c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[CH:23]([c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[O:24]3)[CH2:37][CH2:38]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11].[O:39]1[CH:40]([O:45][CH2:46][c:47]2[cH:48][n:49][c:50]([CH:52]=[O:53])[s:51]2)[CH2:41][CH2:42][CH2:43][CH2:44]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13]([CH2:14][CH2:15][C:52]([c:50]2[n:49][cH:48][c:47]([CH2:46][O:45][CH:40]3[O:39][CH2:44][CH2:43][CH2:42][CH2:41]3)[s:51]2)=[O:53])=[O:16])[CH2:17][CH:18]2[CH2:19][C:20]3([O:21][CH:22]([c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[CH:23]([c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[O:24]3)[CH2:37][CH2:38]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]

Participants

8

Reactant 7

HCID 312ChlorideHCID 702EthanolHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 4253053-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-iumHCID 593313055-[(tetrahydro-2H-pyran-2-yloxy)methyl]-1,3-thiazole-2-carbaldehydeHCID 722571774-(3-Chloro-4-methylsulfonylphenyl)-5-(2,3-diphenyl-1,4-dioxaspiro[4.4]nonan-8-yl)pent-1-en-3-one

Product 1

HCID 1785047245-(3-chloro-4-methylsulfonylphenyl)-6-(2,3-diphenyl-1,4-dioxaspiro[4.4]nonan-8-yl)-1-[5-(oxan-2-yloxymethyl)-1,3-thiazol-2-yl]hexane-1,4-dione

Sources & evidence

ORD record
ord-586f63eb47ef45cf94f2345c42182558
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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