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

HRID 666345Notes

Reaction equation

HRID 666345 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][NH2:16])[CH2:12][CH2:13]1.[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[CH:17]1([NH:20][C:21](=[O:22])[c:23]2[cH:24][cH:25][cH:26][c:27]3[s:28][c:29](-[c:32]4[n:33][c:34]([Cl:39])[n:35][cH:36][c:37]4[Cl:38])[cH:30][c:31]23)[CH2:18][CH2:19]1.[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][NH:16][c:34]2[n:33][c:32](-[c:29]3[s:28][c:27]4[cH:26][cH:25][cH:24][c:23]([C:21]([NH:20][CH:17]5[CH2:18][CH2:19]5)=[O:22])[c:31]4[cH:30]3)[c:37]([Cl:38])[cH:36][n:35]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 1514258tert-Butyl 4-(2-aminoethyl)piperidine-1-carboxylateHCID 866253512-(2,5-Dichloropyrimidin-4-yl)-benzo[b]thiophene-4-carboxylic acid cyclopropylamide

Product 1

HCID 688578404-{2-[5-Chloro-4-(4-cyclopropylcarbamoyl-benzo[b]thiophen-2-yl)-pyrimidin-2-ylamino]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-3ac98d838e504dfb9f36c0d36e6a828d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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