1,4-Dioxane → 4-{3-[4-(Benzo[b]thiophen-2-yl)-5-methyl-pyrimidin-2-yl]-amino-propyl}-piperazine-1-carboxylic acid tert-butyl ester

HRID 121236Notes

Reaction equation

HRID 121236 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][NH2:17])[CH2:12][CH2:13]1.[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[s:18]1[c:19]2[c:20]([cH:21][c:22]1-[c:23]1[n:24][c:25]([Cl:30])[n:26][cH:27][c:28]1[CH3:29])[cH:31][cH:32][cH:33][cH:34]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH:16]([NH2:17])[c:25]2[n:24][c:23](-[c:22]3[s:18][c:19]4[c:20]([cH:21]3)[cH:31][cH:32][cH:33][cH:34]4)[c:28]([CH3:29])[cH:27][n:26]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 177509451-tert-Butyloxycarbonyl-4-(3-aminopropyl)piperazineHCID 866253634-(Benzo[b]thiophen-2-yl)-2-chloro-5-methyl-pyrimidine

Product 1

HCID 688562254-{3-[4-(Benzo[b]thiophen-2-yl)-5-methyl-pyrimidin-2-yl]-amino-propyl}-piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-79267a7dbc344ae589ebcb81bfffea52
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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