1,4-Dioxane → 4-[4-(4-Bromoindol-1-yl)-pyrimidin-2-ylamino]-cyclohexanecarboxylic acid ethyl ester

HRID 102133

Reaction equation

HRID 102133 reaction equation
[Br:1][c:2]1[c:3]2[cH:4][cH:5][n:6](-[c:11]3[n:12][c:13]([S:17]([CH3:18])=[O:19])[n:14][cH:15][cH:16]3)[c:7]2[cH:8][cH:9][cH:10]1.[CH2:20]([CH3:21])[O:22][C:23](=[O:24])[CH:25]1[CH2:26][CH2:27][CH:28]([NH2:31])[CH2:29][CH2:30]1.[CH2:32]1[O:33][CH2:34][CH2:35][O:36][CH2:37]1>>[Br:1][c:2]1[c:3]2[cH:4][cH:5][n:6](-[c:11]3[n:12][c:13]([NH:31][CH:28]4[CH2:27][CH2:26][CH:25]([C:23]([O:22][CH2:20][CH3:21])=[O:24])[CH2:30][CH2:29]4)[n:14][cH:15][cH:16]3)[c:7]2[cH:8][cH:9][cH:10]1

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 409963Ethyl 4-aminocyclohexanecarboxylateHCID 674343154-bromo-1-(2-methylsulfinyl-pyrimidin-4-yl)-1H-indole

Product 1

HCID 686055994-[4-(4-Bromoindol-1-yl)-pyrimidin-2-ylamino]-cyclohexanecarboxylic acid ethyl ester

Sources & evidence

ORD record
ord-7e5ed71c1f044e50a5c9001e924e395d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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