N-Acetyl-4-piperidone → 1-[4-[7-(1-acetylpiperidin-4-yl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea

HRID 117421

반응식

HRID 117421 반응식
[C:30]([CH3:31])(=[O:32])[N:33]1[CH2:34][CH2:35][C:36](=[O:39])[CH2:37][CH2:38]1.[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[n:14][c:15]([N:23]3[CH:24]([CH3:29])[CH2:25][O:26][CH2:27][CH2:28]3)[c:16]3[c:17]([n:18]2)[CH2:19][NH:20][CH2:21][CH2:22]3)[cH:11][cH:12]1>>[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[n:14][c:15]([N:23]3[CH:24]([CH3:29])[CH2:25][O:26][CH2:27][CH2:28]3)[c:16]3[c:17]([n:18]2)[CH2:19][N:20]([CH:36]2[CH2:35][CH2:34][N:33]([C:30]([CH3:31])=[O:32])[CH2:38][CH2:37]2)[CH2:21][CH2:22]3)[cH:11][cH:12]1

참가 물질

3

반응물 2

HCID 122563N-Acetyl-4-piperidoneHCID 666875921-Ethyl-3-[4-[4-(3-methylmorpholin-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]urea

생성물 1

HCID 671773831-[4-[7-(1-acetylpiperidin-4-yl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea

출처 및 근거

ORD 기록
ord-defa46b10a3146da91f59b593df25c6f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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