1-(2-Hydroxyethyl)piperazine → 2-[4-[8-(Benzylamino)-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]piperazin-1-yl]ethanol

HRID 117333Notes

Reaction equation

HRID 117333 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][c:9]1[n:10][cH:11][n:12][c:13]2[c:14]1[n:15][c:16]([Cl:26])[n:17][c:18]2[N:19]1[CH2:20][CH2:21][S:22](=[O:25])[CH2:23][CH2:24]1.[OH:27][CH2:28][CH2:29][N:30]1[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][c:9]1[n:10][cH:11][n:12][c:13]2[c:14]1[n:15][c:16]([N:33]1[CH2:32][CH2:31][N:30]([CH2:29][CH2:28][OH:27])[CH2:35][CH2:34]1)[n:17][c:18]2[N:19]1[CH2:20][CH2:21][S:22](=[O:25])[CH2:23][CH2:24]1

Participants

3

Reactant 2

HCID 76771-(2-Hydroxyethyl)piperazineHCID 128170128-Benzylamino-2-chloro-4-(1-oxido-thiomorpholino)pyrimido[5,4-d]pyrimidine

Product 1

HCID 128171082-[4-[8-(Benzylamino)-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]piperazin-1-yl]ethanol

Sources & evidence

ORD record
ord-28d8d445116944e59f1b6dd3bc6b8bdb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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