7-amino-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one → 7-[7-(2-methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-4-methyl-4H-benzo[1,4]oxazin-3-one

반응식

[CH3:1][S:2](=[O:3])[c:4]1[n:5][n:6]2[c:7]([cH:8][n:9]1)[cH:10][cH:11][c:12]2-[c:13]1[c:14]([O:19][CH3:20])[cH:15][cH:16][cH:17][cH:18]1.[NH2:21][c:22]1[cH:23][c:24]2[c:25]([cH:32][cH:33]1)[N:26]([CH3:31])[C:27](=[O:30])[CH2:28][O:29]2>>[c:4]1([NH:21][c:22]2[cH:23][c:24]3[c:25]([cH:32][cH:33]2)[N:26]([CH3:31])[C:27](=[O:30])[CH2:28][O:29]3)[n:5][n:6]2[c:7]([cH:8][n:9]1)[cH:10][cH:11][c:12]2-[c:13]1[c:14]([O:19][CH3:20])[cH:15][cH:16][cH:17][cH:18]1

참가 물질

반응물 2

HCID 27644607-amino-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

HCID 667107912-Methanesulfinyl-7-(2-methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazine

생성물 1

HCID 667119037-[7-(2-methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-4-methyl-4H-benzo[1,4]oxazin-3-one

출처 및 근거

ORD 기록: ord-8df7ace8f5a54a9e948a47f0a323b8aa
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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