1,4-Dioxane → 1,1-Dimethylethyl 4-[4-(3-{[(2,6-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-5-(2-methyl-4-pyrimidinyl)-1,3-thiazol-2-yl]-4-methyl-1-piperidinecarboxylate

HRID 1212923Notes

Reaction equation

HRID 1212923 reaction equation
[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[CH3:46][Zn:47][CH3:48].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:27]3[c:28]([F:45])[c:29]([NH:33][S:34](=[O:35])(=[O:36])[c:37]4[c:38]([F:44])[cH:39][cH:40][cH:41][c:42]4[F:43])[cH:30][cH:31][cH:32]3)[n:10][c:11]([C:13]3([CH3:26])[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]3)[s:12]2)[n:7]1>>[c:2]1([CH3:46])[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:27]3[c:28]([F:45])[c:29]([NH:33][S:34](=[O:35])(=[O:36])[c:37]4[c:38]([F:44])[cH:39][cH:40][cH:41][c:42]4[F:43])[cH:30][cH:31][cH:32]3)[n:10][c:11]([C:13]3([CH3:26])[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]3)[s:12]2)[n:7]1

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 579896331,1-Dimethylethyl 4-[5-(2-chloro-4-pyrimidinyl)-4-(3-{[(2,6-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-2-yl]-4-methyl-1-piperidinecarboxylateHCID 178477796HCID 178477796, compound

Product 1

HCID 579898041,1-Dimethylethyl 4-[4-(3-{[(2,6-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-5-(2-methyl-4-pyrimidinyl)-1,3-thiazol-2-yl]-4-methyl-1-piperidinecarboxylate

Sources & evidence

ORD record
ord-1e072363c2d944ccafc86a251caeb725
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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