1,4-Dioxane → 4-{2-[4-(6-Dimethylcarbamoyl-benzo[b]thiophen-2-yl)-5-methylpyrimidin-2-ylamino]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester

HRID 1131806Notes

Reaction equation

HRID 1131806 reaction equation
[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28](=[O:29])[N:30]1[CH2:31][CH2:32][CH:33]([CH2:36][CH2:37][NH2:38])[CH2:34][CH2:35]1.[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH3:1][N:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([s:10][c:11](-[c:13]3[n:14][c:15]([Cl:20])[n:16][cH:17][c:18]3[CH3:19])[cH:12]2)[cH:21]1)[CH3:22].[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47]>>[CH3:1][N:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([s:10][c:11](-[c:13]3[n:14][c:15]([NH:38][CH2:37][CH2:36][CH:33]4[CH2:32][CH2:31][N:30]([C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:29])[CH2:35][CH2:34]4)[n:16][cH:17][c:18]3[CH3:19])[cH:12]2)[cH:21]1)[CH3:22]

Participants

5

Reactant 4

HCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 1514258tert-Butyl 4-(2-aminoethyl)piperidine-1-carboxylateHCID 866253622-(2-Chloro-5-methylpyrimidin-4-yl)-benzo[b]thiophene-6-carboxylic acid dimethylamide

Product 1

HCID 688574434-{2-[4-(6-Dimethylcarbamoyl-benzo[b]thiophen-2-yl)-5-methylpyrimidin-2-ylamino]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-4faedc1641f849bdbee4ff0cceb4da10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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