1,4-Dioxane → 2-{5-Methyl-2-[3-(4-methylpiperazin-1-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophene-6-carboxylic acid methyl ester

HRID 90108

Reaction equation

HRID 90108 reaction equation
[CH2:33]1[O:34][CH2:35][CH2:36][O:37][CH2:38]1.[CH3:1][O: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.[NH2:22][CH2:23][CH2:24][CH2:25][N:26]1[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]1>>[CH3:1][O: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:22][CH2:23][CH2:24][CH2:25][N:26]4[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]4)[n:16][cH:17][c:18]3[CH3:19])[cH:12]2)[cH:21]1

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 783281-(3-Aminopropyl)-4-methylpiperazineHCID 866253462-(2-Chloro-5-methylpyrimidin-4-yl)-benzo[b]thiophene-6-carboxylic acid methyl ester

Product 1

HCID 688570602-{5-Methyl-2-[3-(4-methylpiperazin-1-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophene-6-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-ccc6ce26d8bf4bc1ac5c1a08ef5530a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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