3-(Methylaminomethyl)pyridine → 8-benzylsulfanyl-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-d]pyrimidin-2-amine

반응식

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[S: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.[CH3:27][NH:28][CH2:29][c:30]1[cH:31][n:32][cH:33][cH:34][cH:35]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[S:8][c:9]1[n:10][cH:11][n:12][c:13]2[c:14]1[n:15][c:16]([N:28]([CH3:27])[CH2:29][c:30]1[cH:31][n:32][cH:33][cH:34][cH:35]1)[n:17][c:18]2[N:19]1[CH2:20][CH2:21][S:22](=[O:25])[CH2:23][CH2:24]1

참가 물질

반응물 2

HCID 883933-(Methylaminomethyl)pyridine

HCID 130433648-Benzylthio-2-chloro-4-(1-oxido-thiomorpholino)pyrimido[5,4-d]pyrimidine

생성물 1

HCID 130434688-benzylsulfanyl-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-d]pyrimidin-2-amine

출처 및 근거

ORD 기록: ord-65595b7813be4f43a068db0a65c328b9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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