1,4-Dioxane → 4-{2-[5-Bromo-4-(4-cyclopropylcarbamoylbenzo[b]thiophen-2-yl)-pyrimidin-2-ylamino]-ethyl}-4-methylpiperidine-1-carboxylic acid tert-butyl ester

HRID 156368Notes

Reaction equation

HRID 156368 reaction equation
[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[N:31]1[CH2:32][CH2:33][C:34]([CH3:37])([CH2:38][CH2:39][NH2:40])[CH2:35][CH2:36]1.[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][cH:9][cH:10][c:11]3[s:12][c:13](-[c:16]4[n:17][c:18]([Cl:23])[n:19][cH:20][c:21]4[Br:22])[cH:14][c:15]23)[CH2:2][CH2:3]1.[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49]>>[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][cH:9][cH:10][c:11]3[s:12][c:13](-[c:16]4[n:17][c:18]([NH:40][CH2:39][CH2:38][C:34]5([CH3:37])[CH2:33][CH2:32][N:31]([C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:30])[CH2:36][CH2:35]5)[n:19][cH:20][c:21]4[Br:22])[cH:14][c:15]23)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 66660873Tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylateHCID 866253432-(5-Bromo-2-chloropyrimidin-4-yl)-benzo[b]thiophene-4-carboxylic acid cyclopropylamide

Product 1

HCID 688568944-{2-[5-Bromo-4-(4-cyclopropylcarbamoylbenzo[b]thiophen-2-yl)-pyrimidin-2-ylamino]-ethyl}-4-methylpiperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-76159c92fa34470fadf6eca3d7039452
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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