Methanol → [4-(6-Aminomethyl-benzo[b]thiophen-2-yl)-pyrimidin-2-yl]-[3-(4-methyl-piperazin-1-yl)-propyl]-amine

HRID 2130567Notes

Reaction equation

[C:1]([O:2][C:3](=[O:4])[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:23][CH2:24][CH2:25][CH2:26][N:27]4[CH2:28][CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]4)[n:20][cH:21][cH:22]3)[cH:16]2)[cH:34]1)([CH3:5])([CH3:6])[CH3:35].[CH3:43][OH:44].[Cl:45][CH2:46][Cl:47].[F:36][C:37]([F:38])([F:39])[C:40]([OH:41])=[O:42]>>[NH2:7][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:23][CH2:24][CH2:25][CH2:26][N:27]4[CH2:28][CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]4)[n:20][cH:21][cH:22]3)[cH:16]2)[cH:34]1

Participants

Reactant 4

HCID 887Methanol

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

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

Product 1

HCID 68902579[4-(6-Aminomethyl-benzo[b]thiophen-2-yl)-pyrimidin-2-yl]-[3-(4-methyl-piperazin-1-yl)-propyl]-amine

Sources & evidence

ORD record: ord-7e656dd0d5ff4c3caa114f23541250e7
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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