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Cyclopropanemethanamine → 1-[4-[4-(3-methylmorpholin-4-yl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea

HRID 170945
노트
인쇄 미리보기

반응식

HRID 170945 반응식
[CH3:1][CH:2]1[CH2:3][O:4][CH2:5][CH2:6][N:7]1[c:8]1[c:9]2[c:10]([n:11][c:12](-[c:14]3[cH:15][cH:16][c:17]([NH2:18])[cH:19][cH:20]3)[n:13]1)[CH2:21][N:22]([c:25]1[n:26][cH:27][cH:28][cH:29][n:30]1)[CH2:23][CH2:24]2.[CH:67]1([CH2:68][NH2:69])[CH2:70][CH2:71]1.[NH2:60][c:61]1[cH:62][c:63]([CH3:66])[n:64][o:65]1.[O:31]1[CH2:32][CH2:59][N:35]([c:36]2[c:37]3[c:48]([n:49][c:50](-[c:51]4[cH:52][cH:53][c:54]([NH2:55])[cH:56][cH:57]4)[n:58]2)[CH2:47][CH:40]([c:41]2[n:42][cH:43][cH:44][cH:45][n:46]2)[NH:39][CH2:38]3)[CH2:34][CH2:33]1>>[CH3:1][CH:2]1[CH2:3][O:4][CH2:5][CH2:6][N:7]1[c:8]1[c:9]2[c:10]([n:11][c:12](-[c:14]3[cH:15][cH:16][c:17]([NH:18][C:32](=[O:31])[NH:60][c:61]4[cH:62][c:63]([CH3:66])[n:64][o:65]4)[cH:19][cH:20]3)[n:13]1)[CH2:21][N:22]([c:25]1[n:26][cH:27][cH:28][cH:29][n:30]1)[CH2:23][CH2:24]2
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 75646CyclopropanemethanamineHCID 845905-Amino-3-methylisoxazoleHCID 671765164-[4-(3-methylmorpholin-4-yl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilineHCID 671772234-(4-Morpholino-7-(pyrimidin-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)aniline

생성물 1

HCID 67177172
1-[4-[4-(3-methylmorpholin-4-yl)-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea

출처 및 근거

ORD 기록
ord-8fd8fb589365411b98d5a772e1fa8d01
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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