1,4-Dioxane → 4-{3-[4-(4-Cyclopropylcarbamoyl-benzo[b]thiophen-2-yl)-5-fluoropyrimidin-2-ylamino]-propyl}-piperidine-1-carboxylic acid tert-butyl ester

HRID 181006Notes

Reaction equation

HRID 181006 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][CH2:16][NH2:17])[CH2:12][CH2:13]1.[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[CH:18]1([NH:21][C:22](=[O:23])[c:24]2[cH:25][cH:26][cH:27][c:28]3[s:29][c:30](-[c:33]4[n:34][c:35]([Cl:40])[n:36][cH:37][c:38]4[F:39])[cH:31][c:32]23)[CH2:19][CH2:20]1.[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49]>>[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][CH2:16][NH:17][c:35]2[n:34][c:33](-[c:30]3[s:29][c:28]4[cH:27][cH:26][cH:25][c:24]([C:22]([NH:21][CH:18]5[CH2:19][CH2:20]5)=[O:23])[c:32]4[cH:31]3)[c:38]([F:39])[cH:37][n:36]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 22990164tert-Butyl 4-(3-aminopropyl)piperidine-1-carboxylateHCID 866253762-(2-Chloro-5-fluoropyrimidin-4-yl)-benzo[b]thiophene-4-carboxylic acid cyclopropylamide

Product 1

HCID 689062074-{3-[4-(4-Cyclopropylcarbamoyl-benzo[b]thiophen-2-yl)-5-fluoropyrimidin-2-ylamino]-propyl}-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-0c2273ce708943549acaa0607c587d43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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