1,4-Dioxane → (2-{2-[3-(4-Methylpiperazin-1-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophen-6-ylmethyl)-carbamic acid tert-butyl ester

HRID 92536

Reaction equation

HRID 92536 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][c:9]1[cH:10][cH:11][c:12]2[c:13]([s:14][c:15](-[c:17]3[n:18][c:19]([Cl:23])[n:20][cH:21][cH:22]3)[cH:16]2)[cH:24]1)=[O:25].[NH2:26][CH2:27][CH2:28][CH2:29][N:30]1[CH2:31][CH2:32][N:33]([CH3:36])[CH2:34][CH2:35]1.[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][c:9]1[cH:10][cH:11][c:12]2[c:13]([s:14][c:15](-[c:17]3[n:18][c:19]([NH:26][CH2:27][CH2:28][CH2:29][N:30]4[CH2:31][CH2:32][N:33]([CH3:36])[CH2:34][CH2:35]4)[n:20][cH:21][cH:22]3)[cH:16]2)[cH:24]1)=[O:25]

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 783281-(3-Aminopropyl)-4-methylpiperazineHCID 86625348[2-(2-Chloropyrimidin-4-yl)-benzo[b]thiophen-6-ylmethyl]-carbamic acid tert-butyl ester

Product 1

HCID 68859103(2-{2-[3-(4-Methylpiperazin-1-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophen-6-ylmethyl)-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-162342f673d844ebb802b35abf39a4ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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